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

Systemtic Name: 4-[[3-(aminomethyl)-6-methoxy-2-sulfo-phenyl]amino]-1-azanyl-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-[3-(aminomethyl)-6-methoxy-2-sulfo-anilino]-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-[3-(aminomethyl)-6-methoxy-2-sulfoanilino]-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-[3-(aminomethyl)-6-methoxy-2-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-4-[3-(aminomethyl)-6-methoxy-2-sulfo-anilino]-9,10-diketo-anthracene-2-sulfonic acid Formula: C22H19N3O9S2 MolecularWeight: 533.53096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN)S(=O)(=O)O)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

Isomeric SMILES

COC1=C(C(=C(C=C1)CN)S(=O)(=O)O)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

InChI

InChI=1S/C22H19N3O9S2/c1-34-14-7-6-10(9-23)22(36(31,32)33)19(14)25-13-8-15(35(28,29)30)18(24)17-16(13)20(26)11-4-2-3-5-12(11)21(17)27/h2-8,25H,9,23-24H2,1H3,(H,28,29,30)(H,31,32,33)