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

Systemtic Name: 2-methylbutoxycarbonyl 4-[4-(2-dodecylphenyl)carbothioyloxyphenyl]benzoate Openeye Name: 2-methylbutoxycarbonyl 4-[4-(2-dodecylbenzenecarbothioyl)oxyphenyl]benzoate CAS Name: 4-[4-[(2-dodecylphenyl)-sulfanylidenemethoxy]phenyl]benzoic acid [2-methylbutoxy(oxo)methyl] ester IUPAC Name: 2-methylbutoxycarbonyl 4-[4-(2-dodecylbenzenecarbothioyl)oxyphenyl]benzoate Traditional Name: 4-[4-(2-laurylthiobenzoyl)oxyphenyl]benzoic acid 2-methylbutoxycarbonyl ester Formula: C38H48O5S MolecularWeight: 616.84972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1C(=S)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OC(=O)OCC(C)CC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1C(=S)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OC(=O)OCC(C)CC

InChI

InChI=1S/C38H48O5S/c1-4-6-7-8-9-10-11-12-13-14-17-32-18-15-16-19-35(32)37(44)42-34-26-24-31(25-27-34)30-20-22-33(23-21-30)36(39)43-38(40)41-28-29(3)5-2/h15-16,18-27,29H,4-14,17,28H2,1-3H3