4-[[5-(aminomethyl)-4-methoxy-2-sulfo-phenyl]amino]-1-azanyl-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 4-[[5-(aminomethyl)-4-methoxy-2-sulfo-phenyl]amino]-1-azanyl-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-[5-(aminomethyl)-4-methoxy-2-sulfo-anilino]-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-[5-(aminomethyl)-4-methoxy-2-sulfoanilino]-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-[5-(aminomethyl)-4-methoxy-2-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-4-[5-(aminomethyl)-4-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=CC(=C(C=C1CN)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1CN)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)S(=O)(=O)O

InChI

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