7-(4-chlorophenyl)-2-sulfooxy-heptanoic acid; methane

Systemtic Name: 7-(4-chlorophenyl)-2-sulfooxy-heptanoic acid; methane Openeye Name: 7-(4-chlorophenyl)-2-sulfooxy-heptanoic acid; methane CAS Name: 7-(4-chlorophenyl)-2-sulfooxyheptanoic acid; methane IUPAC Name: 7-(4-chlorophenyl)-2-sulfooxyheptanoic acid; methane Traditional Name: 7-(4-chlorophenyl)-2-sulfoxy-enanthic acid; methane Formula: C14H21ClO6S MolecularWeight: 352.83094

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Descriptors Computed from Structure

Canonical SMILES:

C.C1=CC(=CC=C1CCCCCC(C(=O)O)OS(=O)(=O)O)Cl

Isomeric SMILES

C.C1=CC(=CC=C1CCCCCC(C(=O)O)OS(=O)(=O)O)Cl

InChI

InChI=1S/C13H17ClO6S.CH4/c14-11-8-6-10(7-9-11)4-2-1-3-5-12(13(15)16)20-21(17,18)19;/h6-9,12H,1-5H2,(H,15,16)(H,17,18,19);1H4