3-[(2-chloranyl-3-oxidanylidene-3-phenyl-propanoyl)amino]benzoic acid; dodecyl 2-oxidanylpropanoate

Systemtic Name: 3-[(2-chloranyl-3-oxidanylidene-3-phenyl-propanoyl)amino]benzoic acid; dodecyl 2-oxidanylpropanoate Openeye Name: 3-[(2-chloro-3-oxo-3-phenyl-propanoyl)amino]benzoic acid; dodecyl 2-hydroxypropanoate CAS Name: 3-[(2-chloro-1,3-dioxo-3-phenylpropyl)amino]benzoic acid; 2-hydroxypropanoic acid dodecyl ester IUPAC Name: 3-[(2-chloro-3-oxo-3-phenylpropanoyl)amino]benzoic acid; dodecyl 2-hydroxypropanoate Traditional Name: 3-[(2-chloro-3-keto-3-phenyl-propanoyl)amino]benzoic acid; 2-hydroxypropionic acid lauryl ester Formula: C31H42ClNO7 MolecularWeight: 576.12068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C(C)O.C1=CC=C(C=C1)C(=O)C(C(=O)NC2=CC=CC(=C2)C(=O)O)Cl

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C(C)O.C1=CC=C(C=C1)C(=O)C(C(=O)NC2=CC=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C16H12ClNO4.C15H30O3/c17-13(14(19)10-5-2-1-3-6-10)15(20)18-12-8-4-7-11(9-12)16(21)22;1-3-4-5-6-7-8-9-10-11-12-13-18-15(17)14(2)16/h1-9,13H,(H,18,20)(H,21,22);14,16H,3-13H2,1-2H3