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

Systemtic Name: 4-[[4-(aminomethyl)-2-sulfo-phenyl]amino]-1-azanyl-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-[4-(aminomethyl)-2-sulfo-anilino]-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-[4-(aminomethyl)-2-sulfoanilino]-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-[4-(aminomethyl)-2-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-4-[4-(aminomethyl)-2-sulfo-anilino]-9,10-diketo-anthracene-2-sulfonic acid Formula: C21H17N3O8S2 MolecularWeight: 503.50498

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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=C(C=C4)CN)S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=C(C=C(C=C4)CN)S(=O)(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C21H17N3O8S2/c22-9-10-5-6-13(15(7-10)33(27,28)29)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)