2-[4-(4-methoxyphenyl)-3-sulfo-phenyl]ethanoic acid

Systemtic Name: 2-[4-(4-methoxyphenyl)-3-sulfo-phenyl]ethanoic acid Openeye Name: 2-[4-(4-methoxyphenyl)-3-sulfo-phenyl]acetic acid CAS Name: 2-[4-(4-methoxyphenyl)-3-sulfophenyl]acetic acid IUPAC Name: 2-[4-(4-methoxyphenyl)-3-sulfophenyl]acetic acid Traditional Name: 2-[4-(4-methoxyphenyl)-3-sulfo-phenyl]acetic acid Formula: C15H14O6S MolecularWeight: 322.33306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=C(C=C2)CC(=O)O)S(=O)(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=C(C=C2)CC(=O)O)S(=O)(=O)O

InChI

InChI=1S/C15H14O6S/c1-21-12-5-3-11(4-6-12)13-7-2-10(9-15(16)17)8-14(13)22(18,19)20/h2-8H,9H2,1H3,(H,16,17)(H,18,19,20)