pentan-2-yloxycarbonyl 4-[4-(2-decylphenyl)carbothioyloxyphenyl]benzoate

Systemtic Name: pentan-2-yloxycarbonyl 4-[4-(2-decylphenyl)carbothioyloxyphenyl]benzoate Openeye Name: 1-methylbutoxycarbonyl 4-[4-(2-decylbenzenecarbothioyl)oxyphenyl]benzoate CAS Name: 4-[4-[(2-decylphenyl)-sulfanylidenemethoxy]phenyl]benzoic acid [oxo(pentan-2-yloxy)methyl] ester IUPAC Name: pentan-2-yloxycarbonyl 4-[4-(2-decylbenzenecarbothioyl)oxyphenyl]benzoate Traditional Name: 4-[4-(2-decylthiobenzoyl)oxyphenyl]benzoic acid 1-methylbutoxycarbonyl ester Formula: C36H44O5S MolecularWeight: 588.79656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=CC=C1C(=S)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OC(=O)OC(C)CCC

Isomeric SMILES

CCCCCCCCCCC1=CC=CC=C1C(=S)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OC(=O)OC(C)CCC

InChI

InChI=1S/C36H44O5S/c1-4-6-7-8-9-10-11-12-16-30-17-13-14-18-33(30)35(42)40-32-25-23-29(24-26-32)28-19-21-31(22-20-28)34(37)41-36(38)39-27(3)15-5-2/h13-14,17-27H,4-12,15-16H2,1-3H3