5-methyl-4-(3-oxidanylidene-5-pentyl-1H-pyrazol-2-yl)benzene-1,3-disulfonic acid

Systemtic Name: 5-methyl-4-(3-oxidanylidene-5-pentyl-1H-pyrazol-2-yl)benzene-1,3-disulfonic acid Openeye Name: 5-methyl-4-(3-oxo-5-pentyl-1H-pyrazol-2-yl)benzene-1,3-disulfonic acid CAS Name: 5-methyl-4-(3-oxo-5-pentyl-1H-pyrazol-2-yl)benzene-1,3-disulfonic acid IUPAC Name: 5-methyl-4-(3-oxo-5-pentyl-1H-pyrazol-2-yl)benzene-1,3-disulfonic acid Traditional Name: 4-(3-amyl-5-keto-3-pyrazolin-1-yl)-5-methyl-benzene-1,3-disulfonic acid Formula: C15H20N2O7S2 MolecularWeight: 404.4585

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=O)N(N1)C2=C(C=C(C=C2C)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCC1=CC(=O)N(N1)C2=C(C=C(C=C2C)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C15H20N2O7S2/c1-3-4-5-6-11-8-14(18)17(16-11)15-10(2)7-12(25(19,20)21)9-13(15)26(22,23)24/h7-9,16H,3-6H2,1-2H3,(H,19,20,21)(H,22,23,24)