1-octylsulfanyl-4-phenyl-cyclohexa-2,5-diene-1-thiol

Systemtic Name: 1-octylsulfanyl-4-phenyl-cyclohexa-2,5-diene-1-thiol Openeye Name: 1-octylsulfanyl-4-phenyl-cyclohexa-2,5-diene-1-thiol CAS Name: 1-(octylthio)-4-phenyl-1-cyclohexa-2,5-dienethiol IUPAC Name: 1-octylsulfanyl-4-phenylcyclohexa-2,5-diene-1-thiol Traditional Name: 1-(octylthio)-4-phenyl-cyclohexa-2,5-diene-1-thiol Formula: C20H28S2 MolecularWeight: 332.56632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28S2/c1-2-3-4-5-6-10-17-22-20(21)15-13-19(14-16-20)18-11-8-7-9-12-18/h7-9,11-16,19,21H,2-6,10,17H2,1H3