2-methylbutoxycarbonyl 4-[4-(2-octylphenyl)carbothioyloxyphenyl]benzoate

Systemtic Name: 2-methylbutoxycarbonyl 4-[4-(2-octylphenyl)carbothioyloxyphenyl]benzoate Openeye Name: 2-methylbutoxycarbonyl 4-[4-(2-octylbenzenecarbothioyl)oxyphenyl]benzoate CAS Name: 4-[4-[(2-octylphenyl)-sulfanylidenemethoxy]phenyl]benzoic acid [2-methylbutoxy(oxo)methyl] ester IUPAC Name: 2-methylbutoxycarbonyl 4-[4-(2-octylbenzenecarbothioyl)oxyphenyl]benzoate Traditional Name: 4-[4-(2-octylthiobenzoyl)oxyphenyl]benzoic acid 2-methylbutoxycarbonyl ester Formula: C34H40O5S MolecularWeight: 560.7434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC=C1C(=S)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OC(=O)OCC(C)CC

Isomeric SMILES

CCCCCCCCC1=CC=CC=C1C(=S)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OC(=O)OCC(C)CC

InChI

InChI=1S/C34H40O5S/c1-4-6-7-8-9-10-13-28-14-11-12-15-31(28)33(40)38-30-22-20-27(21-23-30)26-16-18-29(19-17-26)32(35)39-34(36)37-24-25(3)5-2/h11-12,14-23,25H,4-10,13,24H2,1-3H3