7-[[6-(aminocarbonylamino)cyclohexa-1,5-dien-1-yl]diazenyl]naphthalene-1,3,6-trisulfonic acid

Systemtic Name: 7-[[6-(aminocarbonylamino)cyclohexa-1,5-dien-1-yl]diazenyl]naphthalene-1,3,6-trisulfonic acid Openeye Name: 7-(6-ureidocyclohexa-1,5-dien-1-yl)azonaphthalene-1,3,6-trisulfonic acid CAS Name: 7-[[6-(carbamoylamino)-1-cyclohexa-1,5-dienyl]azo]naphthalene-1,3,6-trisulfonic acid IUPAC Name: 7-[[6-(carbamoylamino)cyclohexa-1,5-dien-1-yl]diazenyl]naphthalene-1,3,6-trisulfonic acid Traditional Name: 7-(6-ureidocyclohexa-1,5-dien-1-yl)azonaphthalene-1,3,6-trisulfonic acid Formula: C17H16N4O10S3 MolecularWeight: 532.52474

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(C(=C1)NC(=O)N)N=NC2=C(C=C3C=C(C=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1CC=C(C(=C1)NC(=O)N)N=NC2=C(C=C3C=C(C=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C17H16N4O10S3/c18-17(22)19-12-3-1-2-4-13(12)20-21-14-8-11-9(6-16(14)34(29,30)31)5-10(32(23,24)25)7-15(11)33(26,27)28/h3-8H,1-2H2,(H3,18,19,22)(H,23,24,25)(H,26,27,28)(H,29,30,31)