2-[(3-butoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfonyl-propanoic acid

Systemtic Name: 2-[(3-butoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfonyl-propanoic acid Openeye Name: 2-[(3-butoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfonyl-propanoic acid CAS Name: 2-[(3-butoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfonylpropanoic acid IUPAC Name: 2-[(3-butoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfonylpropanoic acid Traditional Name: 2-(3-butoxybenzyl)-3-(4-methoxyphenyl)sulfonyl-propionic acid Formula: C21H26O6S MolecularWeight: 406.49254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)CC(CS(=O)(=O)C2=CC=C(C=C2)OC)C(=O)O

Isomeric SMILES

CCCCOC1=CC=CC(=C1)CC(CS(=O)(=O)C2=CC=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C21H26O6S/c1-3-4-12-27-19-7-5-6-16(14-19)13-17(21(22)23)15-28(24,25)20-10-8-18(26-2)9-11-20/h5-11,14,17H,3-4,12-13,15H2,1-2H3,(H,22,23)