sodium 8-azanyl-4-(2-methoxy-2-oxidanylidene-ethyl)naphthalene-1-sulfonate

Systemtic Name: sodium 8-azanyl-4-(2-methoxy-2-oxidanylidene-ethyl)naphthalene-1-sulfonate Openeye Name: sodium 8-amino-4-(2-methoxy-2-oxo-ethyl)naphthalene-1-sulfonate CAS Name: sodium 8-amino-4-(2-methoxy-2-oxoethyl)-1-naphthalenesulfonate IUPAC Name: sodium 8-amino-4-(2-methoxy-2-oxoethyl)naphthalene-1-sulfonate Traditional Name: sodium 8-amino-4-(2-keto-2-methoxy-ethyl)naphthalene-1-sulfonate Formula: C13H12NNaO5S MolecularWeight: 317.29285

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C2C=CC=C(C2=C(C=C1)S(=O)(=O)[O-])N.[Na+]

Isomeric SMILES

COC(=O)CC1=C2C=CC=C(C2=C(C=C1)S(=O)(=O)[O-])N.[Na+]

InChI

InChI=1S/C13H13NO5S.Na/c1-19-12(15)7-8-5-6-11(20(16,17)18)13-9(8)3-2-4-10(13)14;/h2-6H,7,14H2,1H3,(H,16,17,18);/q;+1/p-1