N1-[2-[(2E)-2-(6-azanyl-5-oxidanylidene-pyridin-2-ylidene)hydrazinyl]-5-nitro-phenyl]-N2-(5-tert-butyl-4-hexadecoxy-2-oxidanyl-phenyl)benzene-1,2-disulfonamide

Systemtic Name: N1-[2-[(2E)-2-(6-azanyl-5-oxidanylidene-pyridin-2-ylidene)hydrazinyl]-5-nitro-phenyl]-N2-(5-tert-butyl-4-hexadecoxy-2-oxidanyl-phenyl)benzene-1,2-disulfonamide Openeye Name: N1-[2-[(2E)-2-(6-amino-5-oxo-2-pyridylidene)hydrazino]-5-nitro-phenyl]-N2-(5-tert-butyl-4-hexadecoxy-2-hydroxy-phenyl)benzene-1,2-disulfonamide CAS Name: N1-[2-[(2E)-2-(6-amino-5-oxo-2-pyridinylidene)hydrazinyl]-5-nitrophenyl]-N2-(5-tert-butyl-4-hexadecoxy-2-hydroxyphenyl)benzene-1,2-disulfonamide IUPAC Name: 1-N-[2-[(2E)-2-(6-amino-5-oxopyridin-2-ylidene)hydrazinyl]-5-nitrophenyl]-2-N-(5-tert-butyl-4-hexadecoxy-2-hydroxyphenyl)benzene-1,2-disulfonamide Traditional Name: N-[2-[(N'E)-N'-(6-amino-5-keto-2-pyridylidene)hydrazino]-5-nitro-phenyl]-N'-(5-tert-butyl-4-cetyloxy-2-hydroxy-phenyl)benzene-1,2-disulfonamide Formula: C43H59N7O9S2 MolecularWeight: 882.10006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1C(C)(C)C)NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])NN=C4C=CC(=O)C(=N4)N)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1C(C)(C)C)NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])N/N=C/4\C=CC(=O)C(=N4)N)O

InChI

InChI=1S/C43H59N7O9S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-59-38-30-37(52)35(29-32(38)43(2,3)4)49-61(57,58)40-22-19-18-21-39(40)60(55,56)48-34-28-31(50(53)54)23-24-33(34)46-47-41-26-25-36(51)42(44)45-41/h18-19,21-26,28-30,46,48-49,52H,5-17,20,27H2,1-4H3,(H2,44,45,47)