2-azanyl-4-[1-azanyl-9,10-bis(oxidanylidene)-4-(4-sulfophenyl)sulfanyl-anthracen-2-yl]oxy-benzenesulfonic acid

Systemtic Name: 2-azanyl-4-[1-azanyl-9,10-bis(oxidanylidene)-4-(4-sulfophenyl)sulfanyl-anthracen-2-yl]oxy-benzenesulfonic acid Openeye Name: 2-amino-4-[[1-amino-9,10-dioxo-4-(4-sulfophenyl)sulfanyl-2-anthryl]oxy]benzenesulfonic acid CAS Name: 2-amino-4-[[1-amino-9,10-dioxo-4-[(4-sulfophenyl)thio]-2-anthracenyl]oxy]benzenesulfonic acid IUPAC Name: 2-amino-4-[1-amino-9,10-dioxo-4-(4-sulfophenyl)sulfanylanthracen-2-yl]oxybenzenesulfonic acid Traditional Name: 2-amino-4-[[1-amino-9,10-diketo-4-[(4-sulfophenyl)thio]-2-anthryl]oxy]besylic acid Formula: C26H18N2O9S3 MolecularWeight: 598.62412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)N)OC4=CC(=C(C=C4)S(=O)(=O)O)N)SC5=CC=C(C=C5)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)N)OC4=CC(=C(C=C4)S(=O)(=O)O)N)SC5=CC=C(C=C5)S(=O)(=O)O

InChI

InChI=1S/C26H18N2O9S3/c27-18-11-13(5-10-21(18)40(34,35)36)37-19-12-20(38-14-6-8-15(9-7-14)39(31,32)33)22-23(24(19)28)26(30)17-4-2-1-3-16(17)25(22)29/h1-12H,27-28H2,(H,31,32,33)(H,34,35,36)