disodium 5-[5-benzamido-2-[(2E)-2-[(3E)-3-[(4-ethoxy-3-sulfonato-phenyl)hydrazinylidene]icosan-2-ylidene]hydrazinyl]phenyl]sulfonyl-2-oxidanyl-benzoate

Systemtic Name: disodium 5-[5-benzamido-2-[(2E)-2-[(3E)-3-[(4-ethoxy-3-sulfonato-phenyl)hydrazinylidene]icosan-2-ylidene]hydrazinyl]phenyl]sulfonyl-2-oxidanyl-benzoate Openeye Name: disodium 5-[5-benzamido-2-[(2E)-2-[(2E)-2-[(4-ethoxy-3-sulfonato-phenyl)hydrazono]-1-methyl-nonadecylidene]hydrazino]phenyl]sulfonyl-2-hydroxy-benzoate CAS Name: disodium 5-[5-benzamido-2-[(2E)-2-[(3E)-3-[(4-ethoxy-3-sulfonatophenyl)hydrazinylidene]eicosan-2-ylidene]hydrazinyl]phenyl]sulfonyl-2-hydroxybenzoate IUPAC Name: disodium 5-[5-benzamido-2-[(2E)-2-[(3E)-3-[(4-ethoxy-3-sulfonatophenyl)hydrazinylidene]icosan-2-ylidene]hydrazinyl]phenyl]sulfonyl-2-hydroxybenzoate Traditional Name: disodium 5-[5-benzamido-2-[(N'E)-N'-[(2E)-2-[(4-ethoxy-3-sulfonato-phenyl)hydrazono]-1-methyl-nonadecylidene]hydrazino]phenyl]sulfonyl-2-hydroxy-benzoate Formula: C48H61N5Na2O10S2 MolecularWeight: 978.13498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=NNC1=CC(=C(C=C1)OCC)S(=O)(=O)[O-])C(=NNC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC(=C(C=C4)O)C(=O)[O-])C.[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCC/C(=N\NC1=CC(=C(C=C1)OCC)S(=O)(=O)[O-])/C(=N/NC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC(=C(C=C4)O)C(=O)[O-])/C.[Na+].[Na+]

InChI

InChI=1S/C48H63N5O10S2.2Na/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-41(52-51-38-27-31-44(63-5-2)46(33-38)65(60,61)62)35(3)50-53-42-29-26-37(49-47(55)36-23-20-19-21-24-36)32-45(42)64(58,59)39-28-30-43(54)40(34-39)48(56)57;;/h19-21,23-24,26-34,51,53-54H,4-18,22,25H2,1-3H3,(H,49,55)(H,56,57)(H,60,61,62);;/q;2*+1/p-2/b50-35+,52-41+;;