O-[4-(5-phenyl-6-sulfanylidene-cyclohexa-2,4-dien-1-yl)octan-4-yl] 2-octan-4-ylbenzenecarbothioate

Systemtic Name: O-[4-(5-phenyl-6-sulfanylidene-cyclohexa-2,4-dien-1-yl)octan-4-yl] 2-octan-4-ylbenzenecarbothioate Openeye Name: O-[1-(5-phenyl-6-thioxo-cyclohexa-2,4-dien-1-yl)-1-propyl-pentyl] 2-(1-propylpentyl)benzenecarbothioate CAS Name: 2-octan-4-ylbenzenecarbothioic acid O-[4-(5-phenyl-6-sulfanylidene-1-cyclohexa-2,4-dienyl)octan-4-yl] ester IUPAC Name: O-[4-(5-phenyl-6-sulfanylidenecyclohexa-2,4-dien-1-yl)octan-4-yl] 2-octan-4-ylbenzenecarbothioate Traditional Name: 2-(1-propylpentyl)thiobenzoic acid O-[1-(5-phenyl-6-thioxo-cyclohexa-2,4-dien-1-yl)-1-propyl-pentyl] ester Formula: C35H46OS2 MolecularWeight: 546.86914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)C1=CC=CC=C1C(=S)OC(CCC)(CCCC)C2C=CC=C(C2=S)C3=CC=CC=C3

Isomeric SMILES

CCCCC(CCC)C1=CC=CC=C1C(=S)OC(CCC)(CCCC)C2C=CC=C(C2=S)C3=CC=CC=C3

InChI

InChI=1S/C35H46OS2/c1-5-9-18-27(17-7-3)29-21-14-15-22-31(29)34(38)36-35(25-8-4,26-10-6-2)32-24-16-23-30(33(32)37)28-19-12-11-13-20-28/h11-16,19-24,27,32H,5-10,17-18,25-26H2,1-4H3