3-[bis(azanyl)methylidene]-1,1-dimethyl-guanidine; 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid

Systemtic Name: 3-[bis(azanyl)methylidene]-1,1-dimethyl-guanidine; 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid Openeye Name: 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid; 3-(diaminomethylene)-1,1-dimethyl-guanidine CAS Name: 4-[(3-carboxy-2-hydroxy-1-naphthalenyl)methyl]-3-hydroxy-2-naphthalenecarboxylic acid; 3-(diaminomethylidene)-1,1-dimethylguanidine IUPAC Name: 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid; 3-(diaminomethylidene)-1,1-dimethylguanidine Traditional Name: 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-2-naphthoic acid; 3-(diaminomethylene)-1,1-dimethyl-guanidine Formula: C31H38N10O6 MolecularWeight: 646.69682

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=N)N=C(N)N.CN(C)C(=N)N=C(N)N.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O

Isomeric SMILES

CN(C)C(=N)N=C(N)N.CN(C)C(=N)N=C(N)N.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/C23H16O6.2C4H11N5/c24-20-16(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;2*1-9(2)4(7)8-3(5)6/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2*1-2H3,(H5,5,6,7,8)