disodium 4-[[5-(aminomethyl)-2-sulfonato-phenyl]amino]-1-azanyl-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: disodium 4-[[5-(aminomethyl)-2-sulfonato-phenyl]amino]-1-azanyl-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: disodium 1-amino-4-[5-(aminomethyl)-2-sulfonato-anilino]-9,10-dioxo-anthracene-2-sulfonate CAS Name: disodium 1-amino-4-[5-(aminomethyl)-2-sulfonatoanilino]-9,10-dioxo-2-anthracenesulfonate IUPAC Name: disodium 1-amino-4-[5-(aminomethyl)-2-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate Traditional Name: disodium 1-amino-4-[5-(aminomethyl)-2-sulfonato-anilino]-9,10-diketo-anthracene-2-sulfonate Formula: C21H15N3Na2O8S2 MolecularWeight: 547.46864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=C(C=CC(=C4)CN)S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=C(C=CC(=C4)CN)S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+]

InChI

InChI=1S/C21H17N3O8S2.2Na/c22-9-10-5-6-15(33(27,28)29)13(7-10)24-14-8-16(34(30,31)32)19(23)18-17(14)20(25)11-3-1-2-4-12(11)21(18)26;;/h1-8,24H,9,22-23H2,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2