naphthalene-2,7-disulfonic acid; 1-octyl-4-(phenylmethyl)-1,2,3,4-tetrazolidin-5-imine

Systemtic Name: naphthalene-2,7-disulfonic acid; 1-octyl-4-(phenylmethyl)-1,2,3,4-tetrazolidin-5-imine Openeye Name: 1-benzyl-4-octyl-tetrazolidin-5-imine; naphthalene-2,7-disulfonic acid CAS Name: naphthalene-2,7-disulfonic acid; 1-octyl-4-(phenylmethyl)-5-tetrazolidinimine IUPAC Name: 1-benzyl-4-octyltetrazolidin-5-imine; naphthalene-2,7-disulfonic acid Traditional Name: (1-benzyl-4-octyl-tetrazolidin-5-ylidene)amine; naphthalene-2,7-disulfonic acid Formula: C26H35N5O6S2 MolecularWeight: 577.716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=N)N(NN1)CC2=CC=CC=C2.C1=CC(=CC2=C1C=CC(=C2)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCN1C(=N)N(NN1)CC2=CC=CC=C2.C1=CC(=CC2=C1C=CC(=C2)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C16H27N5.C10H8O6S2/c1-2-3-4-5-6-10-13-20-16(17)21(19-18-20)14-15-11-8-7-9-12-15;11-17(12,13)9-3-1-7-2-4-10(18(14,15)16)6-8(7)5-9/h7-9,11-12,17-19H,2-6,10,13-14H2,1H3;1-6H,(H,11,12,13)(H,14,15,16)