1-octylsulfanyl-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid

Systemtic Name: 1-octylsulfanyl-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 1-octylsulfanyl-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 1-(octylthio)-4-phenyl-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 1-octylsulfanyl-4-phenylcyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 1-(octylthio)-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid Formula: C21H28O2S MolecularWeight: 344.51082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1(C=CC(C=C1)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCCCSC1(C=CC(C=C1)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H28O2S/c1-2-3-4-5-6-10-17-24-21(20(22)23)15-13-19(14-16-21)18-11-8-7-9-12-18/h7-9,11-16,19H,2-6,10,17H2,1H3,(H,22,23)