3-[[2-(aminomethyl)-4-methyl-6-sulfo-phenyl]amino]-1-azanyl-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 3-[[2-(aminomethyl)-4-methyl-6-sulfo-phenyl]amino]-1-azanyl-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-3-[2-(aminomethyl)-4-methyl-6-sulfo-anilino]-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-3-[2-(aminomethyl)-4-methyl-6-sulfoanilino]-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-3-[2-(aminomethyl)-4-methyl-6-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-3-[2-(aminomethyl)-4-methyl-6-sulfo-anilino]-9,10-diketo-anthracene-2-sulfonic acid Formula: C22H19N3O8S2 MolecularWeight: 517.53156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)S(=O)(=O)O)NC2=C(C(=C3C(=C2)C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)CN

Isomeric SMILES

CC1=CC(=C(C(=C1)S(=O)(=O)O)NC2=C(C(=C3C(=C2)C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)CN

InChI

InChI=1S/C22H19N3O8S2/c1-10-6-11(9-23)19(16(7-10)34(28,29)30)25-15-8-14-17(18(24)22(15)35(31,32)33)21(27)13-5-3-2-4-12(13)20(14)26/h2-8,25H,9,23-24H2,1H3,(H,28,29,30)(H,31,32,33)