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

Systemtic Name: 1-azanyl-9,10-bis(oxidanylidene)-4-[(phenylmethyl)amino]anthracene-2-sulfonic acid Openeye Name: 1-amino-4-(benzylamino)-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-9,10-dioxo-4-[(phenylmethyl)amino]-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-(benzylamino)-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-4-(benzylamino)-9,10-diketo-anthracene-2-sulfonic acid Formula: C21H16N2O5S MolecularWeight: 408.42714

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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

Isomeric SMILES

C1=CC=C(C=C1)CNC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

InChI

InChI=1S/C21H16N2O5S/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)