4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid; 1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine

Systemtic Name: 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid; 1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine Openeye Name: 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid; 1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine CAS Name: 4-[(3-carboxy-2-hydroxy-1-naphthalenyl)methyl]-3-hydroxy-2-naphthalenecarboxylic acid; 1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine IUPAC Name: 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid; 1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-1-(4-chlorophenyl)-6,6-dimethyl-s-triazin-2-yl]amine; 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-2-naphthoic acid Formula: C57H46ClN5O12 MolecularWeight: 1028.45444

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N=C(N=C(N1C2=CC=C(C=C2)Cl)N)N)C.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O

Isomeric SMILES

CC1(N=C(N=C(N1C2=CC=C(C=C2)Cl)N)N)C.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O

InChI

InChI=1S/2C23H16O6.C11H14ClN5/c2*24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h2*1-10,24-25H,11H2,(H,26,27)(H,28,29);3-6H,1-2H3,(H4,13,14,15,16)