sodium 3-[(5-methyl-6-oxidanyl-naphthalen-2-yl)sulfonylamino]propane-1-sulfonate

Systemtic Name: sodium 3-[(5-methyl-6-oxidanyl-naphthalen-2-yl)sulfonylamino]propane-1-sulfonate Openeye Name: sodium 3-[(6-hydroxy-5-methyl-2-naphthyl)sulfonylamino]propane-1-sulfonate CAS Name: sodium 3-[(6-hydroxy-5-methyl-2-naphthalenyl)sulfonylamino]-1-propanesulfonate IUPAC Name: sodium 3-[(6-hydroxy-5-methylnaphthalen-2-yl)sulfonylamino]propane-1-sulfonate Traditional Name: sodium 3-[(6-hydroxy-5-methyl-2-naphthyl)sulfonylamino]propane-1-sulfonate Formula: C14H16NNaO6S2 MolecularWeight: 381.39971

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C=CC(=C2)S(=O)(=O)NCCCS(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

CC1=C(C=CC2=C1C=CC(=C2)S(=O)(=O)NCCCS(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C14H17NO6S2.Na/c1-10-13-5-4-12(9-11(13)3-6-14(10)16)23(20,21)15-7-2-8-22(17,18)19;/h3-6,9,15-16H,2,7-8H2,1H3,(H,17,18,19);/q;+1/p-1