2,5-bis[[(8E)-2-methyl-5-oxidanylidene-8-(pyridin-2-ylhydrazinylidene)quinolin-3-yl]carbonylamino]benzenesulfonic acid

Systemtic Name: 2,5-bis[[(8E)-2-methyl-5-oxidanylidene-8-(pyridin-2-ylhydrazinylidene)quinolin-3-yl]carbonylamino]benzenesulfonic acid Openeye Name: 2,5-bis[[(8E)-2-methyl-5-oxo-8-(2-pyridylhydrazono)quinoline-3-carbonyl]amino]benzenesulfonic acid CAS Name: 2,5-bis[[[(8E)-2-methyl-5-oxo-8-(2-pyridinylhydrazinylidene)-3-quinolinyl]-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 2,5-bis[[(8E)-2-methyl-5-oxo-8-(pyridin-2-ylhydrazinylidene)quinoline-3-carbonyl]amino]benzenesulfonic acid Traditional Name: 2,5-bis[[(8E)-5-keto-2-methyl-8-(2-pyridylhydrazono)quinoline-3-carbonyl]amino]besylic acid Formula: C38H28N10O7S MolecularWeight: 768.75672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=O)C=CC(=NNC3=CC=CC=N3)C2=N1)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=C(N=C6C(=NNC7=CC=CC=N7)C=CC(=O)C6=C5)C)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C2C(=O)C=C/C(=N\NC3=CC=CC=N3)/C2=N1)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=C(N=C6/C(=N/NC7=CC=CC=N7)/C=CC(=O)C6=C5)C)S(=O)(=O)O

InChI

InChI=1S/C38H28N10O7S/c1-20-23(18-25-30(49)13-11-28(35(25)41-20)45-47-33-7-3-5-15-39-33)37(51)43-22-9-10-27(32(17-22)56(53,54)55)44-38(52)24-19-26-31(50)14-12-29(36(26)42-21(24)2)46-48-34-8-4-6-16-40-34/h3-19H,1-2H3,(H,39,47)(H,40,48)(H,43,51)(H,44,52)(H,53,54,55)/b45-28+,46-29+