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

Systemtic Name: disodium 1-azanyl-9,10-bis(oxidanylidene)-4-[(4-phenylazanyl-3-sulfonato-phenyl)amino]anthracene-2-sulfonate Openeye Name: disodium 1-amino-4-(4-anilino-3-sulfonato-anilino)-9,10-dioxo-anthracene-2-sulfonate CAS Name: disodium 1-amino-4-(4-anilino-3-sulfonatoanilino)-9,10-dioxo-2-anthracenesulfonate IUPAC Name: disodium 1-amino-4-(4-anilino-3-sulfonatoanilino)-9,10-dioxoanthracene-2-sulfonate Traditional Name: disodium 1-amino-4-(4-anilino-3-sulfonato-anilino)-9,10-diketo-anthracene-2-sulfonate Formula: C26H17N3Na2O8S2 MolecularWeight: 609.53802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=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)NC2=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/C26H19N3O8S2.2Na/c27-24-21(39(35,36)37)13-19(22-23(24)26(31)17-9-5-4-8-16(17)25(22)30)29-15-10-11-18(20(12-15)38(32,33)34)28-14-6-2-1-3-7-14;;/h1-13,28-29H,27H2,(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2