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

Systemtic Name: 1-azanyl-4-[[4-methoxy-5-(methylaminomethyl)-2-sulfo-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-[4-methoxy-5-(methylaminomethyl)-2-sulfo-anilino]-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-[4-methoxy-5-(methylaminomethyl)-2-sulfoanilino]-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-[4-methoxy-5-(methylaminomethyl)-2-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-9,10-diketo-4-[4-methoxy-5-(methylaminomethyl)-2-sulfo-anilino]anthracene-2-sulfonic acid Formula: C23H21N3O9S2 MolecularWeight: 547.55754

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CC(=C(C=C1OC)S(=O)(=O)O)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

Isomeric SMILES

CNCC1=CC(=C(C=C1OC)S(=O)(=O)O)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

InChI

InChI=1S/C23H21N3O9S2/c1-25-10-11-7-14(17(36(29,30)31)9-16(11)35-2)26-15-8-18(37(32,33)34)21(24)20-19(15)22(27)12-5-3-4-6-13(12)23(20)28/h3-9,25-26H,10,24H2,1-2H3,(H,29,30,31)(H,32,33,34)