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

Systemtic Name: 4-(3-oxidanylidene-5-pentyl-1H-pyrazol-2-yl)benzene-1,3-disulfonic acid Openeye Name: 4-(3-oxo-5-pentyl-1H-pyrazol-2-yl)benzene-1,3-disulfonic acid CAS Name: 4-(3-oxo-5-pentyl-1H-pyrazol-2-yl)benzene-1,3-disulfonic acid IUPAC Name: 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)benzene-1,3-disulfonic acid Formula: C14H18N2O7S2 MolecularWeight: 390.43192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O7S2/c1-2-3-4-5-10-8-14(17)16(15-10)12-7-6-11(24(18,19)20)9-13(12)25(21,22)23/h6-9,15H,2-5H2,1H3,(H,18,19,20)(H,21,22,23)