3-[(6-acetamidocyclohexa-1,5-dien-1-yl)diazenyl]naphthalene-1,5-disulfonic acid

Systemtic Name: 3-[(6-acetamidocyclohexa-1,5-dien-1-yl)diazenyl]naphthalene-1,5-disulfonic acid Openeye Name: 3-(6-acetamidocyclohexa-1,5-dien-1-yl)azonaphthalene-1,5-disulfonic acid CAS Name: 3-[(6-acetamido-1-cyclohexa-1,5-dienyl)azo]naphthalene-1,5-disulfonic acid IUPAC Name: 3-[(6-acetamidocyclohexa-1,5-dien-1-yl)diazenyl]naphthalene-1,5-disulfonic acid Traditional Name: 3-(6-acetamidocyclohexa-1,5-dien-1-yl)azonaphthalene-1,5-disulfonic acid Formula: C18H17N3O7S2 MolecularWeight: 451.47348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CCCC=C1N=NC2=CC(=C3C=CC=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=CCCC=C1N=NC2=CC(=C3C=CC=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H17N3O7S2/c1-11(22)19-15-6-2-3-7-16(15)21-20-12-9-14-13(18(10-12)30(26,27)28)5-4-8-17(14)29(23,24)25/h4-10H,2-3H2,1H3,(H,19,22)(H,23,24,25)(H,26,27,28)