sodium 2-methanoyl-3,4-dimethyl-naphthalene-1-sulfonate

Systemtic Name: sodium 2-methanoyl-3,4-dimethyl-naphthalene-1-sulfonate Openeye Name: sodium 2-formyl-3,4-dimethyl-naphthalene-1-sulfonate CAS Name: sodium 2-formyl-3,4-dimethyl-1-naphthalenesulfonate IUPAC Name: sodium 2-formyl-3,4-dimethylnaphthalene-1-sulfonate Traditional Name: sodium 2-formyl-3,4-dimethyl-naphthalene-1-sulfonate Formula: C13H11NaO4S MolecularWeight: 286.27881

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=CC=CC=C12)S(=O)(=O)[O-])C=O)C.[Na+]

Isomeric SMILES

CC1=C(C(=C(C2=CC=CC=C12)S(=O)(=O)[O-])C=O)C.[Na+]

InChI

InChI=1S/C13H12O4S.Na/c1-8-9(2)12(7-14)13(18(15,16)17)11-6-4-3-5-10(8)11;/h3-7H,1-2H3,(H,15,16,17);/q;+1/p-1