3-[[2-(aminocarbonylamino)-4-azanyl-phenyl]diazenyl]-5-methyl-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid

Systemtic Name: 3-[[2-(aminocarbonylamino)-4-azanyl-phenyl]diazenyl]-5-methyl-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Openeye Name: 3-(4-amino-2-ureido-phenyl)azo-5-methyl-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid CAS Name: 3-[4-amino-2-(carbamoylamino)phenyl]azo-5-methyl-7-(trioxidanylthio)-2-naphthalenesulfonic acid IUPAC Name: 3-[[4-amino-2-(carbamoylamino)phenyl]diazenyl]-5-methyl-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Traditional Name: 3-(4-amino-2-ureido-phenyl)azo-5-methyl-7-(trioxidanylthio)naphthalene-2-sulfonic acid Formula: C18H17N5O7S2 MolecularWeight: 479.48688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=CC(=C(C=C12)N=NC3=C(C=C(C=C3)N)NC(=O)N)S(=O)(=O)O)SOOO

Isomeric SMILES

CC1=CC(=CC2=CC(=C(C=C12)N=NC3=C(C=C(C=C3)N)NC(=O)N)S(=O)(=O)O)SOOO

InChI

InChI=1S/C18H17N5O7S2/c1-9-4-12(31-30-29-25)5-10-6-17(32(26,27)28)16(8-13(9)10)23-22-14-3-2-11(19)7-15(14)21-18(20)24/h2-8,25H,19H2,1H3,(H3,20,21,24)(H,26,27,28)