sodium 1-azanyl-9,10-bis(oxidanylidene)-4-[[4-(phenylmethyl)phenyl]amino]anthracene-2-sulfonate

Systemtic Name: sodium 1-azanyl-9,10-bis(oxidanylidene)-4-[[4-(phenylmethyl)phenyl]amino]anthracene-2-sulfonate Openeye Name: sodium 1-amino-4-(4-benzylanilino)-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 1-amino-9,10-dioxo-4-[4-(phenylmethyl)anilino]-2-anthracenesulfonate IUPAC Name: sodium 1-amino-4-(4-benzylanilino)-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1-amino-4-(4-benzylanilino)-9,10-diketo-anthracene-2-sulfonate Formula: C27H19N2NaO5S MolecularWeight: 506.50493

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=C(C=C2)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=C(C=C2)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C27H20N2O5S.Na/c28-25-22(35(32,33)34)15-21(23-24(25)27(31)20-9-5-4-8-19(20)26(23)30)29-18-12-10-17(11-13-18)14-16-6-2-1-3-7-16;/h1-13,15,29H,14,28H2,(H,32,33,34);/q;+1/p-1