4-azanyl-2-[(E)-2-[5-(3-methyl-5-oxidanylidene-pyrazolidin-1-yl)-2-sulfo-phenyl]ethenyl]benzenesulfonic acid

Systemtic Name: 4-azanyl-2-[(E)-2-[5-(3-methyl-5-oxidanylidene-pyrazolidin-1-yl)-2-sulfo-phenyl]ethenyl]benzenesulfonic acid Openeye Name: 4-amino-2-[(E)-2-[5-(3-methyl-5-oxo-pyrazolidin-1-yl)-2-sulfo-phenyl]vinyl]benzenesulfonic acid CAS Name: 4-amino-2-[(E)-2-[5-(3-methyl-5-oxo-1-pyrazolidinyl)-2-sulfophenyl]ethenyl]benzenesulfonic acid IUPAC Name: 4-amino-2-[(E)-2-[5-(3-methyl-5-oxopyrazolidin-1-yl)-2-sulfophenyl]ethenyl]benzenesulfonic acid Traditional Name: 4-amino-2-[(E)-2-[5-(5-keto-3-methyl-pyrazolidin-1-yl)-2-sulfo-phenyl]vinyl]besylic acid Formula: C18H19N3O7S2 MolecularWeight: 453.48936

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)N(N1)C2=CC(=C(C=C2)S(=O)(=O)O)C=CC3=C(C=CC(=C3)N)S(=O)(=O)O

Isomeric SMILES

CC1CC(=O)N(N1)C2=CC(=C(C=C2)S(=O)(=O)O)/C=C/C3=C(C=CC(=C3)N)S(=O)(=O)O

InChI

InChI=1S/C18H19N3O7S2/c1-11-8-18(22)21(20-11)15-5-7-17(30(26,27)28)13(10-15)3-2-12-9-14(19)4-6-16(12)29(23,24)25/h2-7,9-11,20H,8,19H2,1H3,(H,23,24,25)(H,26,27,28)/b3-2+