O-[4-(2-methylbutyl)phenyl] 2-(4-heptylphenyl)benzenecarbothioate

Systemtic Name: O-[4-(2-methylbutyl)phenyl] 2-(4-heptylphenyl)benzenecarbothioate Openeye Name: O-[4-(2-methylbutyl)phenyl] 2-(4-heptylphenyl)benzenecarbothioate CAS Name: 2-(4-heptylphenyl)benzenecarbothioic acid O-[4-(2-methylbutyl)phenyl] ester IUPAC Name: O-[4-(2-methylbutyl)phenyl] 2-(4-heptylphenyl)benzenecarbothioate Traditional Name: 2-(4-heptylphenyl)thiobenzoic acid O-[4-(2-methylbutyl)phenyl] ester Formula: C31H38OS MolecularWeight: 458.69782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=CC=C2C(=S)OC3=CC=C(C=C3)CC(C)CC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=CC=C2C(=S)OC3=CC=C(C=C3)CC(C)CC

InChI

InChI=1S/C31H38OS/c1-4-6-7-8-9-12-25-15-19-27(20-16-25)29-13-10-11-14-30(29)31(33)32-28-21-17-26(18-22-28)23-24(3)5-2/h10-11,13-22,24H,4-9,12,23H2,1-3H3