4-[4-(2-chlorophenyl)phenyl]-2-sulfo-butanoic acid

Systemtic Name: 4-[4-(2-chlorophenyl)phenyl]-2-sulfo-butanoic acid Openeye Name: 4-[4-(2-chlorophenyl)phenyl]-2-sulfo-butanoic acid CAS Name: 4-[4-(2-chlorophenyl)phenyl]-2-sulfobutanoic acid IUPAC Name: 4-[4-(2-chlorophenyl)phenyl]-2-sulfobutanoic acid Traditional Name: 4-[4-(2-chlorophenyl)phenyl]-2-sulfo-butyric acid Formula: C16H15ClO5S MolecularWeight: 354.8053

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)CCC(C(=O)O)S(=O)(=O)O)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)CCC(C(=O)O)S(=O)(=O)O)Cl

InChI

InChI=1S/C16H15ClO5S/c17-14-4-2-1-3-13(14)12-8-5-11(6-9-12)7-10-15(16(18)19)23(20,21)22/h1-6,8-9,15H,7,10H2,(H,18,19)(H,20,21,22)