2,3-bis(oxidanyl)naphthalene-1-sulfonate; tributylazanium

Systemtic Name: 2,3-bis(oxidanyl)naphthalene-1-sulfonate; tributylazanium Openeye Name: 2,3-dihydroxynaphthalene-1-sulfonate; tributylammonium CAS Name: 2,3-dihydroxy-1-naphthalenesulfonate; tributylammonium IUPAC Name: 2,3-dihydroxynaphthalene-1-sulfonate; tributylazanium Traditional Name: 2,3-dihydroxynaphthalene-1-sulfonate; tributylammonium Formula: C22H35NO5S MolecularWeight: 425.582

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CCCC.C1=CC=C2C(=C1)C=C(C(=C2S(=O)(=O)[O-])O)O

Isomeric SMILES

CCCC[NH+](CCCC)CCCC.C1=CC=C2C(=C1)C=C(C(=C2S(=O)(=O)[O-])O)O

InChI

InChI=1S/C12H27N.C10H8O5S/c1-4-7-10-13(11-8-5-2)12-9-6-3;11-8-5-6-3-1-2-4-7(6)10(9(8)12)16(13,14)15/h4-12H2,1-3H3;1-5,11-12H,(H,13,14,15)