sodium 4-(ethoxycarbonylamino)-6-oxidanyl-naphthalene-2-sulfonate

Systemtic Name: sodium 4-(ethoxycarbonylamino)-6-oxidanyl-naphthalene-2-sulfonate Openeye Name: sodium 4-(ethoxycarbonylamino)-6-hydroxy-naphthalene-2-sulfonate CAS Name: sodium 4-(ethoxycarbonylamino)-6-hydroxy-2-naphthalenesulfonate IUPAC Name: sodium 4-(ethoxycarbonylamino)-6-hydroxynaphthalene-2-sulfonate Traditional Name: sodium 4-(carbethoxyamino)-6-hydroxy-naphthalene-2-sulfonate Formula: C13H12NNaO6S MolecularWeight: 333.29225

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=C2C=C(C=CC2=CC(=C1)S(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

CCOC(=O)NC1=C2C=C(C=CC2=CC(=C1)S(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C13H13NO6S.Na/c1-2-20-13(16)14-12-7-10(21(17,18)19)5-8-3-4-9(15)6-11(8)12;/h3-7,15H,2H2,1H3,(H,14,16)(H,17,18,19);/q;+1/p-1