6-[2-[3-[(4-isocyano-2-methyl-pyrazol-3-yl)diazenyl]-2-methyl-indol-1-yl]ethanoylamino]naphthalene-1,3-disulfonate

Systemtic Name: 6-[2-[3-[(4-isocyano-2-methyl-pyrazol-3-yl)diazenyl]-2-methyl-indol-1-yl]ethanoylamino]naphthalene-1,3-disulfonate Openeye Name: 6-[[2-[3-(4-isocyano-2-methyl-pyrazol-3-yl)azo-2-methyl-indol-1-yl]acetyl]amino]naphthalene-1,3-disulfonate CAS Name: 6-[[2-[3-[(4-isocyano-2-methyl-3-pyrazolyl)azo]-2-methyl-1-indolyl]-1-oxoethyl]amino]naphthalene-1,3-disulfonate IUPAC Name: 6-[[2-[3-[(4-isocyano-2-methylpyrazol-3-yl)diazenyl]-2-methylindol-1-yl]acetyl]amino]naphthalene-1,3-disulfonate Traditional Name: 6-[[2-[3-(4-isocyano-2-methyl-pyrazol-3-yl)azo-2-methyl-indol-1-yl]acetyl]amino]naphthalene-1,3-disulfonate Formula: C26H19N7O7S2-2 MolecularWeight: 605.60176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CC(=O)NC3=CC4=CC(=CC(=C4C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC5=C(C=NN5C)[N+]#[C-]

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CC(=O)NC3=CC4=CC(=CC(=C4C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC5=C(C=NN5C)[N+]#[C-]

InChI

InChI=1S/C26H21N7O7S2/c1-15-25(30-31-26-21(27-2)13-28-32(26)3)20-6-4-5-7-22(20)33(15)14-24(34)29-17-8-9-19-16(10-17)11-18(41(35,36)37)12-23(19)42(38,39)40/h4-13H,14H2,1,3H3,(H,29,34)(H,35,36,37)(H,38,39,40)/p-2