4-ethoxycarbonyl-5-oxidanyl-naphthalene-2,7-disulfonic acid

Systemtic Name: 4-ethoxycarbonyl-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-ethoxycarbonyl-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 4-ethoxycarbonyl-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 4-ethoxycarbonyl-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 4-carbethoxy-5-hydroxy-naphthalene-2,7-disulfonic acid Formula: C13H12O9S2 MolecularWeight: 376.35898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C=C2O)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)C1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C=C2O)S(=O)(=O)O

InChI

InChI=1S/C13H12O9S2/c1-2-22-13(15)10-5-8(23(16,17)18)3-7-4-9(24(19,20)21)6-11(14)12(7)10/h3-6,14H,2H2,1H3,(H,16,17,18)(H,19,20,21)