2-(1,3-benzothiazol-2-yl)-5-(2-chlorophenyl)-3-phenyl-dodecanoic acid

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-(2-chlorophenyl)-3-phenyl-dodecanoic acid Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-(2-chlorophenyl)-3-phenyl-dodecanoic acid CAS Name: 2-(1,3-benzothiazol-2-yl)-5-(2-chlorophenyl)-3-phenyldodecanoic acid IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-(2-chlorophenyl)-3-phenyldodecanoic acid Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-(2-chlorophenyl)-3-phenyl-lauric acid Formula: C31H34ClNO2S MolecularWeight: 520.12516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CC(C1=CC=CC=C1)C(C2=NC3=CC=CC=C3S2)C(=O)O)C4=CC=CC=C4Cl

Isomeric SMILES

CCCCCCCC(CC(C1=CC=CC=C1)C(C2=NC3=CC=CC=C3S2)C(=O)O)C4=CC=CC=C4Cl

InChI

InChI=1S/C31H34ClNO2S/c1-2-3-4-5-7-16-23(24-17-10-11-18-26(24)32)21-25(22-14-8-6-9-15-22)29(31(34)35)30-33-27-19-12-13-20-28(27)36-30/h6,8-15,17-20,23,25,29H,2-5,7,16,21H2,1H3,(H,34,35)