2-methylbutyl 4-[4-(2-dodecan-4-ylphenyl)carbothioyloxyphenyl]carbonyloxybenzoate

Systemtic Name: 2-methylbutyl 4-[4-(2-dodecan-4-ylphenyl)carbothioyloxyphenyl]carbonyloxybenzoate Openeye Name: 2-methylbutyl 4-[4-[2-(1-propylnonyl)benzenecarbothioyl]oxybenzoyl]oxybenzoate CAS Name: 4-[[4-[(2-dodecan-4-ylphenyl)-sulfanylidenemethoxy]phenyl]-oxomethoxy]benzoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 4-[4-(2-dodecan-4-ylbenzenecarbothioyl)oxybenzoyl]oxybenzoate Traditional Name: 4-[4-[2-(1-propylnonyl)thiobenzoyl]oxybenzoyl]oxybenzoic acid 2-methylbutyl ester Formula: C38H48O5S MolecularWeight: 616.84972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCC)C1=CC=CC=C1C(=S)OC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OCC(C)CC

Isomeric SMILES

CCCCCCCCC(CCC)C1=CC=CC=C1C(=S)OC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OCC(C)CC

InChI

InChI=1S/C38H48O5S/c1-5-8-9-10-11-12-16-29(15-6-2)34-17-13-14-18-35(34)38(44)43-33-25-21-31(22-26-33)37(40)42-32-23-19-30(20-24-32)36(39)41-27-28(4)7-3/h13-14,17-26,28-29H,5-12,15-16,27H2,1-4H3