5-[3-azanyl-4-[(1E,3E,5E,7Z)-7-[3-azanyl-1-(3,5-disulfophenyl)-5-oxidanylidene-pyrazol-4-ylidene]hepta-1,3,5-trienyl]-5-oxidanylidene-4H-pyrazol-1-yl]benzene-1,3-disulfonic acid

Systemtic Name: 5-[3-azanyl-4-[(1E,3E,5E,7Z)-7-[3-azanyl-1-(3,5-disulfophenyl)-5-oxidanylidene-pyrazol-4-ylidene]hepta-1,3,5-trienyl]-5-oxidanylidene-4H-pyrazol-1-yl]benzene-1,3-disulfonic acid Openeye Name: 5-[3-amino-4-[(1E,3E,5E,7Z)-7-[3-amino-1-(3,5-disulfophenyl)-5-oxo-pyrazol-4-ylidene]hepta-1,3,5-trienyl]-5-oxo-4H-pyrazol-1-yl]benzene-1,3-disulfonic acid CAS Name: 5-[3-amino-4-[(1E,3E,5E,7Z)-7-[3-amino-1-(3,5-disulfophenyl)-5-oxo-4-pyrazolylidene]hepta-1,3,5-trienyl]-5-oxo-4H-pyrazol-1-yl]benzene-1,3-disulfonic acid IUPAC Name: 5-[3-amino-4-[(1E,3E,5E,7Z)-7-[3-amino-1-(3,5-disulfophenyl)-5-oxopyrazol-4-ylidene]hepta-1,3,5-trienyl]-5-oxo-4H-pyrazol-1-yl]benzene-1,3-disulfonic acid Traditional Name: 5-[3-amino-4-[(1E,3E,5E,7Z)-7-[3-amino-1-(3,5-disulfophenyl)-5-keto-2-pyrazolin-4-ylidene]hepta-1,3,5-trienyl]-5-keto-2-pyrazolin-1-yl]benzene-1,3-disulfonic acid Formula: C25H22N6O14S4 MolecularWeight: 758.73398

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1S(=O)(=O)O)S(=O)(=O)O)N2C(=O)C(C(=N2)N)C=CC=CC=CC=C3C(=NN(C3=O)C4=CC(=CC(=C4)S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=C(C=C(C=C1S(=O)(=O)O)S(=O)(=O)O)N2C(=O)C(C(=N2)N)/C=C/C=C/C=C/C=C\3/C(=NN(C3=O)C4=CC(=CC(=C4)S(=O)(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C25H22N6O14S4/c26-22-20(24(32)30(28-22)14-8-16(46(34,35)36)12-17(9-14)47(37,38)39)6-4-2-1-3-5-7-21-23(27)29-31(25(21)33)15-10-18(48(40,41)42)13-19(11-15)49(43,44)45/h1-13,20H,(H2,26,28)(H2,27,29)(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)/b2-1+,5-3+,6-4+,21-7-