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

Systemtic Name: 2-methylbutoxycarbonyl 4-[4-(2-hexylphenyl)carbothioyloxyphenyl]benzoate Openeye Name: 2-methylbutoxycarbonyl 4-[4-(2-hexylbenzenecarbothioyl)oxyphenyl]benzoate CAS Name: 4-[4-[(2-hexylphenyl)-sulfanylidenemethoxy]phenyl]benzoic acid [2-methylbutoxy(oxo)methyl] ester IUPAC Name: 2-methylbutoxycarbonyl 4-[4-(2-hexylbenzenecarbothioyl)oxyphenyl]benzoate Traditional Name: 4-[4-(2-hexylthiobenzoyl)oxyphenyl]benzoic acid 2-methylbutoxycarbonyl ester Formula: C32H36O5S MolecularWeight: 532.69024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=CC=C1C(=S)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OC(=O)OCC(C)CC

Isomeric SMILES

CCCCCCC1=CC=CC=C1C(=S)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OC(=O)OCC(C)CC

InChI

InChI=1S/C32H36O5S/c1-4-6-7-8-11-26-12-9-10-13-29(26)31(38)36-28-20-18-25(19-21-28)24-14-16-27(17-15-24)30(33)37-32(34)35-22-23(3)5-2/h9-10,12-21,23H,4-8,11,22H2,1-3H3