6,7-bis(oxidanyl)naphthalene-2-sulfonate; (phenylmethyl)-tripropyl-azanium

Systemtic Name: 6,7-bis(oxidanyl)naphthalene-2-sulfonate; (phenylmethyl)-tripropyl-azanium Openeye Name: benzyl(tripropyl)ammonium; 6,7-dihydroxynaphthalene-2-sulfonate CAS Name: 6,7-dihydroxy-2-naphthalenesulfonate; (phenylmethyl)-tripropylammonium IUPAC Name: benzyl(tripropyl)azanium; 6,7-dihydroxynaphthalene-2-sulfonate Traditional Name: benzyl(tripropyl)ammonium; 6,7-dihydroxynaphthalene-2-sulfonate Formula: C26H35NO5S MolecularWeight: 473.6248

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](CCC)(CCC)CC1=CC=CC=C1.C1=CC(=CC2=CC(=C(C=C21)O)O)S(=O)(=O)[O-]

Isomeric SMILES

CCC[N+](CCC)(CCC)CC1=CC=CC=C1.C1=CC(=CC2=CC(=C(C=C21)O)O)S(=O)(=O)[O-]

InChI

InChI=1S/C16H28N.C10H8O5S/c1-4-12-17(13-5-2,14-6-3)15-16-10-8-7-9-11-16;11-9-4-6-1-2-8(16(13,14)15)3-7(6)5-10(9)12/h7-11H,4-6,12-15H2,1-3H3;1-5,11-12H,(H,13,14,15)/q+1;/p-1