7-[[2-(aminocarbonylamino)-4-methyl-phenyl]diazenyl]-6-(trioxidanylsulfanyl)naphthalene-1,3-disulfonic acid

Systemtic Name: 7-[[2-(aminocarbonylamino)-4-methyl-phenyl]diazenyl]-6-(trioxidanylsulfanyl)naphthalene-1,3-disulfonic acid Openeye Name: 7-(4-methyl-2-ureido-phenyl)azo-6-(trioxidanylsulfanyl)naphthalene-1,3-disulfonic acid CAS Name: 7-[2-(carbamoylamino)-4-methylphenyl]azo-6-(trioxidanylthio)naphthalene-1,3-disulfonic acid IUPAC Name: 7-[[2-(carbamoylamino)-4-methylphenyl]diazenyl]-6-(trioxidanylsulfanyl)naphthalene-1,3-disulfonic acid Traditional Name: 7-(4-methyl-2-ureido-phenyl)azo-6-(trioxidanylthio)naphthalene-1,3-disulfonic acid Formula: C18H16N4O10S3 MolecularWeight: 544.53544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N=NC2=C(C=C3C=C(C=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O)SOOO)NC(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)N=NC2=C(C=C3C=C(C=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O)SOOO)NC(=O)N

InChI

InChI=1S/C18H16N4O10S3/c1-9-2-3-13(14(4-9)20-18(19)23)21-22-15-8-12-10(6-16(15)33-32-31-24)5-11(34(25,26)27)7-17(12)35(28,29)30/h2-8,24H,1H3,(H3,19,20,23)(H,25,26,27)(H,28,29,30)