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

Systemtic Name: 1-azanyl-4-[[3-(2-hydroxyethylsulfonyl)-4-methoxy-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-[3-(2-hydroxyethylsulfonyl)-4-methoxy-anilino]-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-[3-(2-hydroxyethylsulfonyl)-4-methoxyanilino]-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-[3-(2-hydroxyethylsulfonyl)-4-methoxyanilino]-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-4-[3-(2-hydroxyethylsulfonyl)-4-methoxy-anilino]-9,10-diketo-anthracene-2-sulfonic acid Formula: C23H20N2O9S2 MolecularWeight: 532.5429

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O9S2/c1-34-16-7-6-12(10-17(16)35(29,30)9-8-26)25-15-11-18(36(31,32)33)21(24)20-19(15)22(27)13-4-2-3-5-14(13)23(20)28/h2-7,10-11,25-26H,8-9,24H2,1H3,(H,31,32,33)