(5Z)-9-(methylsulfanylmethoxy)-2-oxidanyl-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diyn-13-one

Systemtic Name: (5Z)-9-(methylsulfanylmethoxy)-2-oxidanyl-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diyn-13-one Openeye Name: (5Z)-2-hydroxy-9-(methylsulfanylmethoxy)bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diyn-13-one CAS Name: (5Z)-2-hydroxy-9-[(methylthio)methoxy]-13-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynone IUPAC Name: (5Z)-2-hydroxy-9-(methylsulfanylmethoxy)bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diyn-13-one Traditional Name: (5Z)-2-hydroxy-9-[(methylthio)methoxy]bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diyn-13-one Formula: C15H14O3S MolecularWeight: 274.33486

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Descriptors Computed from Structure

Canonical SMILES:

CSCOC12CCC=C(C1=O)C(C#CC=CC#C2)O

Isomeric SMILES

CSCOC12CCC=C(C1=O)C(C#C/C=C\C#C2)O

InChI

InChI=1S/C15H14O3S/c1-19-11-18-15-9-5-3-2-4-8-13(16)12(14(15)17)7-6-10-15/h2-3,7,13,16H,6,10-11H2,1H3/b3-2-