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

Systemtic Name: 2-methylbutoxycarbonyl 4-[4-(2-decylphenyl)carbothioyloxyphenyl]benzoate Openeye Name: 2-methylbutoxycarbonyl 4-[4-(2-decylbenzenecarbothioyl)oxyphenyl]benzoate CAS Name: 4-[4-[(2-decylphenyl)-sulfanylidenemethoxy]phenyl]benzoic acid [2-methylbutoxy(oxo)methyl] ester IUPAC Name: 2-methylbutoxycarbonyl 4-[4-(2-decylbenzenecarbothioyl)oxyphenyl]benzoate Traditional Name: 4-[4-(2-decylthiobenzoyl)oxyphenyl]benzoic acid 2-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)OCC(C)CC

Isomeric SMILES

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

InChI

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