6-[(E)-2-[2-(4-butylsulfonyl-3-methyl-phenyl)-7,7-dimethyl-4-oxidanyl-cyclohepten-1-yl]ethenyl]-4-oxidanyl-oxan-2-one

Systemtic Name: 6-[(E)-2-[2-(4-butylsulfonyl-3-methyl-phenyl)-7,7-dimethyl-4-oxidanyl-cyclohepten-1-yl]ethenyl]-4-oxidanyl-oxan-2-one Openeye Name: 6-[(E)-2-[2-(4-butylsulfonyl-3-methyl-phenyl)-4-hydroxy-7,7-dimethyl-cyclohepten-1-yl]vinyl]-4-hydroxy-tetrahydropyran-2-one CAS Name: 6-[(E)-2-[2-(4-butylsulfonyl-3-methylphenyl)-4-hydroxy-7,7-dimethyl-1-cycloheptenyl]ethenyl]-4-hydroxy-2-oxanone IUPAC Name: 6-[(E)-2-[2-(4-butylsulfonyl-3-methylphenyl)-4-hydroxy-7,7-dimethylcyclohepten-1-yl]ethenyl]-4-hydroxyoxan-2-one Traditional Name: 6-[(E)-2-[2-(4-butylsulfonyl-3-methyl-phenyl)-4-hydroxy-7,7-dimethyl-cyclohepten-1-yl]vinyl]-4-hydroxy-tetrahydropyran-2-one Formula: C27H38O6S MolecularWeight: 490.65202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)C1=C(C=C(C=C1)C2=C(C(CCC(C2)O)(C)C)C=CC3CC(CC(=O)O3)O)C

Isomeric SMILES

CCCCS(=O)(=O)C1=C(C=C(C=C1)C2=C(C(CCC(C2)O)(C)C)/C=C/C3CC(CC(=O)O3)O)C

InChI

InChI=1S/C27H38O6S/c1-5-6-13-34(31,32)25-10-7-19(14-18(25)2)23-16-20(28)11-12-27(3,4)24(23)9-8-22-15-21(29)17-26(30)33-22/h7-10,14,20-22,28-29H,5-6,11-13,15-17H2,1-4H3/b9-8+