dodecyl 3-[(4,4-dimethyl-2-oxidanyl-3-sulfanylidene-hexanoyl)amino]benzoate

Systemtic Name: dodecyl 3-[(4,4-dimethyl-2-oxidanyl-3-sulfanylidene-hexanoyl)amino]benzoate Openeye Name: dodecyl 3-[(2-hydroxy-4,4-dimethyl-3-thioxo-hexanoyl)amino]benzoate CAS Name: 3-[(2-hydroxy-4,4-dimethyl-1-oxo-3-sulfanylidenehexyl)amino]benzoic acid dodecyl ester IUPAC Name: dodecyl 3-[(2-hydroxy-4,4-dimethyl-3-sulfanylidenehexanoyl)amino]benzoate Traditional Name: 3-[(2-hydroxy-4,4-dimethyl-3-thioxo-hexanoyl)amino]benzoic acid lauryl ester Formula: C27H43NO4S MolecularWeight: 477.69962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC(=CC=C1)NC(=O)C(C(=S)C(C)(C)CC)O

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC(=CC=C1)NC(=O)C(C(=S)C(C)(C)CC)O

InChI

InChI=1S/C27H43NO4S/c1-5-7-8-9-10-11-12-13-14-15-19-32-26(31)21-17-16-18-22(20-21)28-25(30)23(29)24(33)27(3,4)6-2/h16-18,20,23,29H,5-15,19H2,1-4H3,(H,28,30)