disodium (6E)-4-[[5-chloranyl-2,4-bis(fluoranyl)-3,4-dihydropyridin-6-yl]amino]-7-methyl-5-oxidanylidene-6-[(2-sulfonatophenyl)hydrazinylidene]naphthalene-2-sulfonate

Systemtic Name: disodium (6E)-4-[[5-chloranyl-2,4-bis(fluoranyl)-3,4-dihydropyridin-6-yl]amino]-7-methyl-5-oxidanylidene-6-[(2-sulfonatophenyl)hydrazinylidene]naphthalene-2-sulfonate Openeye Name: disodium (6E)-4-[(5-chloro-2,4-difluoro-3,4-dihydropyridin-6-yl)amino]-7-methyl-5-oxo-6-[(2-sulfonatophenyl)hydrazono]naphthalene-2-sulfonate CAS Name: disodium (6E)-4-[(5-chloro-2,4-difluoro-3,4-dihydropyridin-6-yl)amino]-7-methyl-5-oxo-6-[(2-sulfonatophenyl)hydrazinylidene]-2-naphthalenesulfonate IUPAC Name: disodium (6E)-4-[(5-chloro-2,4-difluoro-3,4-dihydropyridin-6-yl)amino]-7-methyl-5-oxo-6-[(2-sulfonatophenyl)hydrazinylidene]naphthalene-2-sulfonate Traditional Name: disodium (6E)-4-[(5-chloro-2,4-difluoro-3,4-dihydropyridin-6-yl)amino]-5-keto-7-methyl-6-[(2-sulfonatophenyl)hydrazono]naphthalene-2-sulfonate Formula: C22H15ClF2N4Na2O7S2 MolecularWeight: 630.936446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=CC(=C2C(=O)C1=NNC3=CC=CC=C3S(=O)(=O)[O-])NC4=C(C(CC(=N4)F)F)Cl)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC\1=CC2=CC(=CC(=C2C(=O)/C1=N/NC3=CC=CC=C3S(=O)(=O)[O-])NC4=C(C(CC(=N4)F)F)Cl)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C22H17ClF2N4O7S2.2Na/c1-10-6-11-7-12(37(31,32)33)8-15(26-22-19(23)13(24)9-17(25)27-22)18(11)21(30)20(10)29-28-14-4-2-3-5-16(14)38(34,35)36;;/h2-8,13,26,28H,9H2,1H3,(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2/b29-20+;;