sodium 4-[2-(4-ethoxycarbonylphenyl)ethenyl]benzenesulfonic acid

Systemtic Name: sodium 4-[2-(4-ethoxycarbonylphenyl)ethenyl]benzenesulfonic acid Openeye Name: sodium 4-[2-(4-ethoxycarbonylphenyl)vinyl]benzenesulfonic acid CAS Name: sodium 4-[2-(4-ethoxycarbonylphenyl)ethenyl]benzenesulfonic acid IUPAC Name: sodium 4-[2-(4-ethoxycarbonylphenyl)ethenyl]benzenesulfonic acid Traditional Name: sodium 4-[2-(4-carbethoxyphenyl)vinyl]besylic acid Formula: C17H16NaO5S+ MolecularWeight: 355.36071

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C=CC2=CC=C(C=C2)S(=O)(=O)O.[Na+]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C=CC2=CC=C(C=C2)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C17H16O5S.Na/c1-2-22-17(18)15-9-5-13(6-10-15)3-4-14-7-11-16(12-8-14)23(19,20)21;/h3-12H,2H2,1H3,(H,19,20,21);/q;+1