7-(5-chloranyl-2-methoxy-phenyl)-2-(phenylsulfonyl)heptanoic acid

Systemtic Name: 7-(5-chloranyl-2-methoxy-phenyl)-2-(phenylsulfonyl)heptanoic acid Openeye Name: 2-(benzenesulfonyl)-7-(5-chloro-2-methoxy-phenyl)heptanoic acid CAS Name: 2-(benzenesulfonyl)-7-(5-chloro-2-methoxyphenyl)heptanoic acid IUPAC Name: 2-(benzenesulfonyl)-7-(5-chloro-2-methoxyphenyl)heptanoic acid Traditional Name: 2-besyl-7-(5-chloro-2-methoxy-phenyl)enanthic acid Formula: C20H23ClO5S MolecularWeight: 410.91162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)CCCCCC(C(=O)O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)CCCCCC(C(=O)O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H23ClO5S/c1-26-18-13-12-16(21)14-15(18)8-4-2-7-11-19(20(22)23)27(24,25)17-9-5-3-6-10-17/h3,5-6,9-10,12-14,19H,2,4,7-8,11H2,1H3,(H,22,23)