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

Systemtic Name: sodium 1-azanyl-4-[[3-(2-hydroxyethylsulfonyl)-4-methoxy-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 1-amino-4-[3-(2-hydroxyethylsulfonyl)-4-methoxy-anilino]-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 1-amino-4-[3-(2-hydroxyethylsulfonyl)-4-methoxyanilino]-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 1-amino-4-[3-(2-hydroxyethylsulfonyl)-4-methoxyanilino]-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1-amino-4-[3-(2-hydroxyethylsulfonyl)-4-methoxy-anilino]-9,10-diketo-anthracene-2-sulfonate Formula: C23H19N2NaO9S2 MolecularWeight: 554.52473

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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.[Na+]

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.[Na+]

InChI

InChI=1S/C23H20N2O9S2.Na/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);/q;+1/p-1