6-methyl-6-[[3-(1-oxidanylhexylsulfanyl)phenoxy]methyl]cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 6-methyl-6-[[3-(1-oxidanylhexylsulfanyl)phenoxy]methyl]cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 6-[[3-(1-hydroxyhexylsulfanyl)phenoxy]methyl]-6-methyl-cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 6-[[3-(1-hydroxyhexylthio)phenoxy]methyl]-6-methyl-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 6-[[3-(1-hydroxyhexylsulfanyl)phenoxy]methyl]-6-methylcyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 6-[[3-(1-hydroxyhexylthio)phenoxy]methyl]-6-methyl-cyclohexa-2,4-diene-1-carboxylic acid Formula: C21H28O4S MolecularWeight: 376.50962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(O)SC1=CC=CC(=C1)OCC2(C=CC=CC2C(=O)O)C

Isomeric SMILES

CCCCCC(O)SC1=CC=CC(=C1)OCC2(C=CC=CC2C(=O)O)C

InChI

InChI=1S/C21H28O4S/c1-3-4-5-12-19(22)26-17-10-8-9-16(14-17)25-15-21(2)13-7-6-11-18(21)20(23)24/h6-11,13-14,18-19,22H,3-5,12,15H2,1-2H3,(H,23,24)