disodium 1-azanyl-9,10-bis(oxidanylidene)-4-[(4-phenoxy-3-sulfonato-phenyl)amino]anthracene-2-sulfonate

Systemtic Name: disodium 1-azanyl-9,10-bis(oxidanylidene)-4-[(4-phenoxy-3-sulfonato-phenyl)amino]anthracene-2-sulfonate Openeye Name: disodium 1-amino-9,10-dioxo-4-(4-phenoxy-3-sulfonato-anilino)anthracene-2-sulfonate CAS Name: disodium 1-amino-9,10-dioxo-4-(4-phenoxy-3-sulfonatoanilino)-2-anthracenesulfonate IUPAC Name: disodium 1-amino-9,10-dioxo-4-(4-phenoxy-3-sulfonatoanilino)anthracene-2-sulfonate Traditional Name: disodium 1-amino-9,10-diketo-4-(4-phenoxy-3-sulfonato-anilino)anthracene-2-sulfonate Formula: C26H16N2Na2O9S2 MolecularWeight: 610.52278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C=C(C=C2)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C=C(C=C2)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C26H18N2O9S2.2Na/c27-24-21(39(34,35)36)13-18(22-23(24)26(30)17-9-5-4-8-16(17)25(22)29)28-14-10-11-19(20(12-14)38(31,32)33)37-15-6-2-1-3-7-15;;/h1-13,28H,27H2,(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2