6-[3-[3-[(4-isocyano-2-methyl-pyrazol-3-yl)diazenyl]-2-methyl-indol-1-yl]propanoylamino]naphthalene-1,3-disulfonic acid

Systemtic Name: 6-[3-[3-[(4-isocyano-2-methyl-pyrazol-3-yl)diazenyl]-2-methyl-indol-1-yl]propanoylamino]naphthalene-1,3-disulfonic acid Openeye Name: 6-[3-[3-(4-isocyano-2-methyl-pyrazol-3-yl)azo-2-methyl-indol-1-yl]propanoylamino]naphthalene-1,3-disulfonic acid CAS Name: 6-[[3-[3-[(4-isocyano-2-methyl-3-pyrazolyl)azo]-2-methyl-1-indolyl]-1-oxopropyl]amino]naphthalene-1,3-disulfonic acid IUPAC Name: 6-[3-[3-[(4-isocyano-2-methylpyrazol-3-yl)diazenyl]-2-methylindol-1-yl]propanoylamino]naphthalene-1,3-disulfonic acid Traditional Name: 6-[3-[3-(4-isocyano-2-methyl-pyrazol-3-yl)azo-2-methyl-indol-1-yl]propanoylamino]naphthalene-1,3-disulfonic acid Formula: C27H23N7O7S2 MolecularWeight: 621.64422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CCC(=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=C2N1CCC(=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/C27H23N7O7S2/c1-16-26(31-32-27-22(28-2)15-29-33(27)3)21-6-4-5-7-23(21)34(16)11-10-25(35)30-18-8-9-20-17(12-18)13-19(42(36,37)38)14-24(20)43(39,40)41/h4-9,12-15H,10-11H2,1,3H3,(H,30,35)(H,36,37,38)(H,39,40,41)