3-(3-cyclopentyloxy-4-methoxy-phenyl)sulfonyl-3-(3-phenoxyphenyl)propanoic acid

Systemtic Name: 3-(3-cyclopentyloxy-4-methoxy-phenyl)sulfonyl-3-(3-phenoxyphenyl)propanoic acid Openeye Name: 3-[3-(cyclopentoxy)-4-methoxy-phenyl]sulfonyl-3-(3-phenoxyphenyl)propanoic acid CAS Name: 3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-3-(3-phenoxyphenyl)propanoic acid IUPAC Name: 3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-3-(3-phenoxyphenyl)propanoic acid Traditional Name: 3-[3-(cyclopentoxy)-4-methoxy-phenyl]sulfonyl-3-(3-phenoxyphenyl)propionic acid Formula: C27H28O7S MolecularWeight: 496.57202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)C(CC(=O)O)C2=CC(=CC=C2)OC3=CC=CC=C3)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)C(CC(=O)O)C2=CC(=CC=C2)OC3=CC=CC=C3)OC4CCCC4

InChI

InChI=1S/C27H28O7S/c1-32-24-15-14-23(17-25(24)34-21-11-5-6-12-21)35(30,31)26(18-27(28)29)19-8-7-13-22(16-19)33-20-9-3-2-4-10-20/h2-4,7-10,13-17,21,26H,5-6,11-12,18H2,1H3,(H,28,29)