3-[5-(3-ethoxycarbonylphenyl)sulfonyl-2-oxidanyl-phenyl]propanoic acid

Systemtic Name: 3-[5-(3-ethoxycarbonylphenyl)sulfonyl-2-oxidanyl-phenyl]propanoic acid Openeye Name: 3-[5-(3-ethoxycarbonylphenyl)sulfonyl-2-hydroxy-phenyl]propanoic acid CAS Name: 3-[5-(3-ethoxycarbonylphenyl)sulfonyl-2-hydroxyphenyl]propanoic acid IUPAC Name: 3-[5-(3-ethoxycarbonylphenyl)sulfonyl-2-hydroxyphenyl]propanoic acid Traditional Name: 3-[5-(3-carbethoxyphenyl)sulfonyl-2-hydroxy-phenyl]propionic acid Formula: C18H18O7S MolecularWeight: 378.39632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)O)CCC(=O)O

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)O)CCC(=O)O

InChI

InChI=1S/C18H18O7S/c1-2-25-18(22)13-4-3-5-14(11-13)26(23,24)15-7-8-16(19)12(10-15)6-9-17(20)21/h3-5,7-8,10-11,19H,2,6,9H2,1H3,(H,20,21)