2-[[4-[[4-[[4-[(2,5-dicarboxyphenyl)diazenyl]phenyl]amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]terephthalic acid

Systemtic Name: 2-[[4-[[4-[[4-[(2,5-dicarboxyphenyl)diazenyl]phenyl]amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]terephthalic acid Openeye Name: 2-[4-[[4-[4-(2,5-dicarboxyphenyl)azoanilino]-6-morpholino-1,3,5-triazin-2-yl]amino]phenyl]azoterephthalic acid CAS Name: 2-[4-[[4-[4-(2,5-dicarboxyphenyl)azoanilino]-6-(4-morpholinyl)-1,3,5-triazin-2-yl]amino]phenyl]azoterephthalic acid IUPAC Name: 2-[[4-[[4-[4-[(2,5-dicarboxyphenyl)diazenyl]anilino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]terephthalic acid Traditional Name: 2-[4-[[4-[4-(2,5-dicarboxyphenyl)azoanilino]-6-morpholino-s-triazin-2-yl]amino]phenyl]azoterephthalic acid Formula: C35H28N10O9 MolecularWeight: 732.65842

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC(=N2)NC3=CC=C(C=C3)N=NC4=C(C=CC(=C4)C(=O)O)C(=O)O)NC5=CC=C(C=C5)N=NC6=C(C=CC(=C6)C(=O)O)C(=O)O

Isomeric SMILES

C1COCCN1C2=NC(=NC(=N2)NC3=CC=C(C=C3)N=NC4=C(C=CC(=C4)C(=O)O)C(=O)O)NC5=CC=C(C=C5)N=NC6=C(C=CC(=C6)C(=O)O)C(=O)O

InChI

InChI=1S/C35H28N10O9/c46-29(47)19-1-11-25(31(50)51)27(17-19)43-41-23-7-3-21(4-8-23)36-33-38-34(40-35(39-33)45-13-15-54-16-14-45)37-22-5-9-24(10-6-22)42-44-28-18-20(30(48)49)2-12-26(28)32(52)53/h1-12,17-18H,13-16H2,(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H2,36,37,38,39,40)