2-methylbutyl 2-[4-(4-dodecylphenyl)carbothioyloxyphenyl]carbonyloxybenzoate

Systemtic Name: 2-methylbutyl 2-[4-(4-dodecylphenyl)carbothioyloxyphenyl]carbonyloxybenzoate Openeye Name: 2-methylbutyl 2-[4-(4-dodecylbenzenecarbothioyl)oxybenzoyl]oxybenzoate CAS Name: 2-[[4-[(4-dodecylphenyl)-sulfanylidenemethoxy]phenyl]-oxomethoxy]benzoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 2-[4-(4-dodecylbenzenecarbothioyl)oxybenzoyl]oxybenzoate Traditional Name: 2-[4-(4-laurylthiobenzoyl)oxybenzoyl]oxybenzoic acid 2-methylbutyl ester Formula: C38H48O5S MolecularWeight: 616.84972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C(=S)OC2=CC=C(C=C2)C(=O)OC3=CC=CC=C3C(=O)OCC(C)CC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C(=S)OC2=CC=C(C=C2)C(=O)OC3=CC=CC=C3C(=O)OCC(C)CC

InChI

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