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

Systemtic Name: 1-azanyl-4-[[3-(2-diethylaminoethylsulfonyl)phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-[3-(2-diethylaminoethylsulfonyl)anilino]-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-[3-(2-diethylaminoethylsulfonyl)anilino]-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-[3-(2-diethylaminoethylsulfonyl)anilino]-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-4-[3-(2-diethylaminoethylsulfonyl)anilino]-9,10-diketo-anthracene-2-sulfonic acid Formula: C26H27N3O7S2 MolecularWeight: 557.63848

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCS(=O)(=O)C1=CC=CC(=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

Isomeric SMILES

CCN(CC)CCS(=O)(=O)C1=CC=CC(=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

InChI

InChI=1S/C26H27N3O7S2/c1-3-29(4-2)12-13-37(32,33)17-9-7-8-16(14-17)28-20-15-21(38(34,35)36)24(27)23-22(20)25(30)18-10-5-6-11-19(18)26(23)31/h5-11,14-15,28H,3-4,12-13,27H2,1-2H3,(H,34,35,36)