sodium 5,6,7-trimethylnaphthalene-1-sulfonate

Systemtic Name: sodium 5,6,7-trimethylnaphthalene-1-sulfonate Openeye Name: sodium 5,6,7-trimethylnaphthalene-1-sulfonate CAS Name: sodium 5,6,7-trimethyl-1-naphthalenesulfonate IUPAC Name: sodium 5,6,7-trimethylnaphthalene-1-sulfonate Traditional Name: sodium 5,6,7-trimethylnaphthalene-1-sulfonate Formula: C13H13NaO3S MolecularWeight: 272.29529

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O3S.Na/c1-8-7-12-11(10(3)9(8)2)5-4-6-13(12)17(14,15)16;/h4-7H,1-3H3,(H,14,15,16);/q;+1/p-1