5-(4-butoxyphenyl)-3-(3-cyclopentyloxy-4-methoxy-phenyl)sulfonyl-pentanoic acid

Systemtic Name: 5-(4-butoxyphenyl)-3-(3-cyclopentyloxy-4-methoxy-phenyl)sulfonyl-pentanoic acid Openeye Name: 5-(4-butoxyphenyl)-3-[3-(cyclopentoxy)-4-methoxy-phenyl]sulfonyl-pentanoic acid CAS Name: 5-(4-butoxyphenyl)-3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonylpentanoic acid IUPAC Name: 5-(4-butoxyphenyl)-3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonylpentanoic acid Traditional Name: 5-(4-butoxyphenyl)-3-[3-(cyclopentoxy)-4-methoxy-phenyl]sulfonyl-valeric acid Formula: C27H36O7S MolecularWeight: 504.63554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CCC(CC(=O)O)S(=O)(=O)C2=CC(=C(C=C2)OC)OC3CCCC3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CCC(CC(=O)O)S(=O)(=O)C2=CC(=C(C=C2)OC)OC3CCCC3

InChI

InChI=1S/C27H36O7S/c1-3-4-17-33-21-12-9-20(10-13-21)11-14-24(19-27(28)29)35(30,31)23-15-16-25(32-2)26(18-23)34-22-7-5-6-8-22/h9-10,12-13,15-16,18,22,24H,3-8,11,14,17,19H2,1-2H3,(H,28,29)