About: Hexadecahydro-3,3'-spirobi[[2,4]benzodioxepine]

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About: Hexadecahydro-3,3'-spirobi[[2,4]benzodioxepine] Goto Sponge NotDistinct Permalink

An Entity of Type : wikibase:Item, within Data Space : wikidata.demo.openlinksw.com associated with source document(s)

chemical compound

Attributes	Values
rdf:type	Item
description	химическое соединение (ru) chemical compound (en) composé chimique (fr) compositum chemicum (la) chemische Verbindung (de) chemische verbinding (nl) compuestu químicu (ast) хімічна сполука (uk)
rdfs:label	Hexadecahydro-3,3'-spirobi[[2,4]benzodioxepine] (en)
skos:prefLabel	Hexadecahydro-3,3'-spirobi[[2,4]benzodioxepine] (en)
name	Hexadecahydro-3,3'-spirobi[[2,4]benzodioxepine] (en)
instance of	wds:Q82716144-945EB99E-BB64-4B87-8988-0684CB3ED48D
instance of	type of chemical entity
subclass of	wds:Q82716144-34EB8AD1-22CF-40C0-9423-298B7CDB8DD8
subclass of	chemical substance
UniChem compound ID	wds:Q82716144-DA911663-3234-474B-877D-C557B3BA428D
CAS Registry Number	wds:Q82716144-5A508F82-4D5D-481E-93D2-B99F87F2B0A7
canonical SMILES	wds:Q82716144-58000FE3-B65E-405A-8F23-A2010062EF77
InChI	wds:Q82716144-469C634E-9BE3-4775-8962-9E02F2A41FAE
InChIKey	wds:Q82716144-F05EADB4-0AC1-4EBE-89DB-ECA8851DD352
chemical formula	wds:Q82716144-9781249F-BE21-4099-8532-48F34DF897EE
DSSTox substance ID	wds:Q82716144-FA12F887-5644-4928-90C7-68F78630F995
PubChem CID	wds:Q82716144-D9867E64-F418-4790-AB52-7D3DE607519F
DSSTOX compound identifier	wds:Q82716144-18300B0F-7BE2-4285-B11B-7E9694340835
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID71333010
UniChem compound ID	65361012
CAS Registry Number	103545-44-4
canonical SMILES	C1CCC2COC3(OCC2C1)OCC1CCCCC1CO3
InChI	InChI=1S/C17H28O4/c1-2-6-14-10-19-17(18-9-13(14)5-1)20-11-15-7-3-4-8-16(15)12-21-17/h13-16H,1-12H2
InChIKey	DVMMGHSZFZEIKA-UHFFFAOYSA-N
chemical formula	C₁₇H₂₈O₄
DSSTox substance ID	DTXSID80761344
PubChem CID	71333010
DSSTOX compound identifier	DTXCID70712087
mass	wds:Q82716144-781D73AE-CCF4-4E9F-9951-A7F43FFA2A0C
mass	296.198759376 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q82716144

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