4-[2-(3-ethoxycarbonyl-4-oxidanyl-phenyl)ethynyl]benzenesulfonic acid

Systemtic Name: 4-[2-(3-ethoxycarbonyl-4-oxidanyl-phenyl)ethynyl]benzenesulfonic acid Openeye Name: 4-[2-(3-ethoxycarbonyl-4-hydroxy-phenyl)ethynyl]benzenesulfonic acid CAS Name: 4-[2-(3-ethoxycarbonyl-4-hydroxyphenyl)ethynyl]benzenesulfonic acid IUPAC Name: 4-[2-(3-ethoxycarbonyl-4-hydroxyphenyl)ethynyl]benzenesulfonic acid Traditional Name: 4-[2-(3-carbethoxy-4-hydroxy-phenyl)ethynyl]besylic acid Formula: C17H14O6S MolecularWeight: 346.35446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)C#CC2=CC=C(C=C2)S(=O)(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)C#CC2=CC=C(C=C2)S(=O)(=O)O)O

InChI

InChI=1S/C17H14O6S/c1-2-23-17(19)15-11-13(7-10-16(15)18)4-3-12-5-8-14(9-6-12)24(20,21)22/h5-11,18H,2H2,1H3,(H,20,21,22)