3-oxidanyl-7-phenyl-2-[2-(phenylsulfonyl)ethyl]heptanoic acid

Systemtic Name: 3-oxidanyl-7-phenyl-2-[2-(phenylsulfonyl)ethyl]heptanoic acid Openeye Name: 2-[2-(benzenesulfonyl)ethyl]-3-hydroxy-7-phenyl-heptanoic acid CAS Name: 2-[2-(benzenesulfonyl)ethyl]-3-hydroxy-7-phenylheptanoic acid IUPAC Name: 2-[2-(benzenesulfonyl)ethyl]-3-hydroxy-7-phenylheptanoic acid Traditional Name: 2-(2-besylethyl)-3-hydroxy-7-phenyl-enanthic acid Formula: C21H26O5S MolecularWeight: 390.49314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCC(C(CCS(=O)(=O)C2=CC=CC=C2)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCC(C(CCS(=O)(=O)C2=CC=CC=C2)C(=O)O)O

InChI

InChI=1S/C21H26O5S/c22-20(14-8-7-11-17-9-3-1-4-10-17)19(21(23)24)15-16-27(25,26)18-12-5-2-6-13-18/h1-6,9-10,12-13,19-20,22H,7-8,11,14-16H2,(H,23,24)