3-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-7-phenyl-heptanoic acid

Systemtic Name: 3-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-7-phenyl-heptanoic acid Openeye Name: 3-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-7-phenyl-heptanoic acid CAS Name: 3-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-7-phenylheptanoic acid IUPAC Name: 3-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-7-phenylheptanoic acid Traditional Name: 3-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-7-phenyl-enanthic acid Formula: C22H28O5S MolecularWeight: 404.51972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(CCCCC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)O

Isomeric SMILES

CC(C)(C(CCCCC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C22H28O5S/c1-22(2,21(23)24)20(12-8-7-11-17-9-5-4-6-10-17)28(25,26)19-15-13-18(27-3)14-16-19/h4-6,9-10,13-16,20H,7-8,11-12H2,1-3H3,(H,23,24)