5-phenyl-2-(3-phenylpropylsulfonylmethyl)pentanoic acid

Systemtic Name: 5-phenyl-2-(3-phenylpropylsulfonylmethyl)pentanoic acid Openeye Name: 5-phenyl-2-(3-phenylpropylsulfonylmethyl)pentanoic acid CAS Name: 5-phenyl-2-(3-phenylpropylsulfonylmethyl)pentanoic acid IUPAC Name: 5-phenyl-2-(3-phenylpropylsulfonylmethyl)pentanoic acid Traditional Name: 5-phenyl-2-(3-phenylpropylsulfonylmethyl)valeric acid Formula: C21H26O4S MolecularWeight: 374.49374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(CS(=O)(=O)CCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCC(CS(=O)(=O)CCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H26O4S/c22-21(23)20(15-7-13-18-9-3-1-4-10-18)17-26(24,25)16-8-14-19-11-5-2-6-12-19/h1-6,9-12,20H,7-8,13-17H2,(H,22,23)