diazanium 1-(phenylmethyl)-1-[[1-(phenylmethyl)-2-sulfonato-8aH-naphthalen-1-yl]methyl]-8aH-naphthalene-2-sulfonate

Systemtic Name: diazanium 1-(phenylmethyl)-1-[[1-(phenylmethyl)-2-sulfonato-8aH-naphthalen-1-yl]methyl]-8aH-naphthalene-2-sulfonate Openeye Name: diammonium 1-benzyl-1-[(1-benzyl-2-sulfonato-8aH-naphthalen-1-yl)methyl]-8aH-naphthalene-2-sulfonate CAS Name: diammonium 1-(phenylmethyl)-1-[[1-(phenylmethyl)-2-sulfonato-8aH-naphthalen-1-yl]methyl]-8aH-naphthalene-2-sulfonate IUPAC Name: diazanium 1-benzyl-1-[(1-benzyl-2-sulfonato-8aH-naphthalen-1-yl)methyl]-8aH-naphthalene-2-sulfonate Traditional Name: diammonium 1-benzyl-1-[(1-benzyl-2-sulfonato-8aH-naphthalen-1-yl)methyl]-8aH-naphthalene-2-sulfonate Formula: C35H38N2O6S2 MolecularWeight: 646.81602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2(C3C=CC=CC3=CC=C2S(=O)(=O)[O-])CC4(C5C=CC=CC5=CC=C4S(=O)(=O)[O-])CC6=CC=CC=C6.[NH4+].[NH4+]

Isomeric SMILES

C1=CC=C(C=C1)CC2(C3C=CC=CC3=CC=C2S(=O)(=O)[O-])CC4(C5C=CC=CC5=CC=C4S(=O)(=O)[O-])CC6=CC=CC=C6.[NH4+].[NH4+]

InChI

InChI=1S/C35H32O6S2.2H3N/c36-42(37,38)32-21-19-28-15-7-9-17-30(28)34(32,23-26-11-3-1-4-12-26)25-35(24-27-13-5-2-6-14-27)31-18-10-8-16-29(31)20-22-33(35)43(39,40)41;;/h1-22,30-31H,23-25H2,(H,36,37,38)(H,39,40,41);2*1H3