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

Systemtic Name: sodium 1-azanyl-9,10-bis(oxidanylidene)-4-[(phenylmethyl)amino]anthracene-2-sulfonate Openeye Name: sodium 1-amino-4-(benzylamino)-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 1-amino-9,10-dioxo-4-[(phenylmethyl)amino]-2-anthracenesulfonate IUPAC Name: sodium 1-amino-4-(benzylamino)-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1-amino-4-(benzylamino)-9,10-diketo-anthracene-2-sulfonate Formula: C21H15N2NaO5S MolecularWeight: 430.40897

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C21H16N2O5S.Na/c22-19-16(29(26,27)28)10-15(23-11-12-6-2-1-3-7-12)17-18(19)21(25)14-9-5-4-8-13(14)20(17)24;/h1-10,23H,11,22H2,(H,26,27,28);/q;+1/p-1