2-(4-tert-butylphenyl)sulfonyl-7-(4-methoxyphenyl)heptanoic acid

Systemtic Name: 2-(4-tert-butylphenyl)sulfonyl-7-(4-methoxyphenyl)heptanoic acid Openeye Name: 2-(4-tert-butylphenyl)sulfonyl-7-(4-methoxyphenyl)heptanoic acid CAS Name: 2-(4-tert-butylphenyl)sulfonyl-7-(4-methoxyphenyl)heptanoic acid IUPAC Name: 2-(4-tert-butylphenyl)sulfonyl-7-(4-methoxyphenyl)heptanoic acid Traditional Name: 2-(4-tert-butylphenyl)sulfonyl-7-(4-methoxyphenyl)enanthic acid Formula: C24H32O5S MolecularWeight: 432.57288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C(CCCCCC2=CC=C(C=C2)OC)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C(CCCCCC2=CC=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C24H32O5S/c1-24(2,3)19-12-16-21(17-13-19)30(27,28)22(23(25)26)9-7-5-6-8-18-10-14-20(29-4)15-11-18/h10-17,22H,5-9H2,1-4H3,(H,25,26)