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

Systemtic Name: 1-azanyl-4-[[4-[(4-chloranyl-6-phenylazanyl-1,3,5-triazin-2-yl)amino]-3-sulfo-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-[4-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-3-sulfo-anilino]-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-[4-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-3-sulfoanilino]-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-[4-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-3-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-4-[4-[(4-anilino-6-chloro-s-triazin-2-yl)amino]-3-sulfo-anilino]-9,10-diketo-anthracene-2-sulfonic acid Formula: C29H20ClN7O8S2 MolecularWeight: 694.0942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NC3=C(C=C(C=C3)NC4=CC(=C(C5=C4C(=O)C6=CC=CC=C6C5=O)N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NC3=C(C=C(C=C3)NC4=CC(=C(C5=C4C(=O)C6=CC=CC=C6C5=O)N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C29H20ClN7O8S2/c30-27-35-28(33-14-6-2-1-3-7-14)37-29(36-27)34-18-11-10-15(12-20(18)46(40,41)42)32-19-13-21(47(43,44)45)24(31)23-22(19)25(38)16-8-4-5-9-17(16)26(23)39/h1-13,32H,31H2,(H,40,41,42)(H,43,44,45)(H2,33,34,35,36,37)