Products 1585236-32-3

CAS 1585236-32-3 is the registry number for 5,5′-(5,6,12,13-Tetrachloro-1,3,8,10-tetrahydro-1,3,8,10-tetraoxoanthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-2,9-diyl)bis[1,3-benzenedicarboxylic acid], 95%. Offered by: Chemat. Available pack sizes: 100mg, 250mg.

5,5′-(5,6,12,13-Tetrachloro-1,3,8,10-tetrahydro-1,3,8,10-tetraoxoanthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-2,9-diyl)bis[1,3-benzenedicarboxylic acid], 95%
Chemat
  • size: 100mg, 250mg
  • Variants: 2
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Structural formula: {0} (CAS {1})

5-[11,14,22,26-tetrachloro-18-(3,5-dicarboxyphenyl)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]benzene-1,3-dicarboxylic acid (CAS 1585236-32-3) is a chemical compound with the molecular formula C40H14Cl4N2O12 and a molecular weight of 856.3 g/mol. IUPAC name: 5-[11,14,22,26-tetrachloro-18-(3,5-dicarboxyphenyl)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]benzene-1,3-dicarboxylic acid. InChIKey: PTVQTGBJVXPJRY-UHFFFAOYSA-N.

Identity
Molecular formulaC40H14Cl4N2O12
Molecular weight856.3 g/mol
IUPAC name5-[11,14,22,26-tetrachloro-18-(3,5-dicarboxyphenyl)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]benzene-1,3-dicarboxylic acid
InChIKeyPTVQTGBJVXPJRY-UHFFFAOYSA-N
SMILESC1=C(C=C(C=C1C(=O)O)N2C(=O)C3=CC(=C4C5=C(C=C6C7=C5C(=C(C=C7C(=O)N(C6=O)C8=CC(=CC(=C8)C(=O)O)C(=O)O)Cl)C9=C(C=C(C3=C49)C2=O)Cl)Cl)Cl)C(=O)O

Computed by PubChem (NCBI)