7-phenyl-3-(phenylmethyl)sulfonyl-heptanoic acid

Systemtic Name: 7-phenyl-3-(phenylmethyl)sulfonyl-heptanoic acid Openeye Name: 3-benzylsulfonyl-7-phenyl-heptanoic acid CAS Name: 7-phenyl-3-(phenylmethyl)sulfonylheptanoic acid IUPAC Name: 3-benzylsulfonyl-7-phenylheptanoic acid Traditional Name: 3-benzylsulfonyl-7-phenyl-enanthic acid Formula: C20H24O4S MolecularWeight: 360.46716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCC(CC(=O)O)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CCCCC(CC(=O)O)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C20H24O4S/c21-20(22)15-19(14-8-7-11-17-9-3-1-4-10-17)25(23,24)16-18-12-5-2-6-13-18/h1-6,9-10,12-13,19H,7-8,11,14-16H2,(H,21,22)