2-[3-butoxy-5-(3-methoxyphenyl)sulfonyl-phenyl]ethanoic acid

Systemtic Name: 2-[3-butoxy-5-(3-methoxyphenyl)sulfonyl-phenyl]ethanoic acid Openeye Name: 2-[3-butoxy-5-(3-methoxyphenyl)sulfonyl-phenyl]acetic acid CAS Name: 2-[3-butoxy-5-(3-methoxyphenyl)sulfonylphenyl]acetic acid IUPAC Name: 2-[3-butoxy-5-(3-methoxyphenyl)sulfonylphenyl]acetic acid Traditional Name: 2-[3-butoxy-5-(3-methoxyphenyl)sulfonyl-phenyl]acetic acid Formula: C19H22O6S MolecularWeight: 378.43938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=CC(=C1)CC(=O)O)S(=O)(=O)C2=CC=CC(=C2)OC

Isomeric SMILES

CCCCOC1=CC(=CC(=C1)CC(=O)O)S(=O)(=O)C2=CC=CC(=C2)OC

InChI

InChI=1S/C19H22O6S/c1-3-4-8-25-16-9-14(11-19(20)21)10-18(13-16)26(22,23)17-7-5-6-15(12-17)24-2/h5-7,9-10,12-13H,3-4,8,11H2,1-2H3,(H,20,21)