1-azanyloxysulfonyl-4-[[4-[[4-[[4,6-bis(chloranyl)-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]diazenyl]phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 1-azanyloxysulfonyl-4-[[4-[[4-[[4,6-bis(chloranyl)-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]diazenyl]phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-aminooxysulfonyl-4-[4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfo-phenyl]azoanilino]-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-aminooxysulfonyl-4-[4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]azoanilino]-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-aminooxysulfonyl-4-[4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]anilino]-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-aminooxysulfonyl-4-[4-[4-[(4,6-dichloro-s-triazin-2-yl)amino]-2-sulfo-phenyl]azoanilino]-9,10-diketo-anthracene-2-sulfonic acid Formula: C29H18Cl2N8O11S3 MolecularWeight: 821.60122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)N=NC5=C(C=C(C=C5)NC6=NC(=NC(=N6)Cl)Cl)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)ON

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)N=NC5=C(C=C(C=C5)NC6=NC(=NC(=N6)Cl)Cl)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)ON

InChI

InChI=1S/C29H18Cl2N8O11S3/c30-27-35-28(31)37-29(36-27)34-15-9-10-18(20(11-15)51(42,43)44)39-38-14-7-5-13(6-8-14)33-19-12-21(52(45,46)47)26(53(48,49)50-32)23-22(19)24(40)16-3-1-2-4-17(16)25(23)41/h1-12,33H,32H2,(H,42,43,44)(H,45,46,47)(H,34,35,36,37)