N-(4-tert-butyl-3-hexadecoxy-3-methoxy-6-oxidanylidene-cyclohexa-1,4-dien-1-yl)-2-(2-methoxyethoxy)-5-nitro-benzenesulfonamide

Systemtic Name: N-(4-tert-butyl-3-hexadecoxy-3-methoxy-6-oxidanylidene-cyclohexa-1,4-dien-1-yl)-2-(2-methoxyethoxy)-5-nitro-benzenesulfonamide Openeye Name: N-(4-tert-butyl-3-hexadecoxy-3-methoxy-6-oxo-cyclohexa-1,4-dien-1-yl)-2-(2-methoxyethoxy)-5-nitro-benzenesulfonamide CAS Name: N-(4-tert-butyl-3-hexadecoxy-3-methoxy-6-oxo-1-cyclohexa-1,4-dienyl)-2-(2-methoxyethoxy)-5-nitrobenzenesulfonamide IUPAC Name: N-(4-tert-butyl-3-hexadecoxy-3-methoxy-6-oxocyclohexa-1,4-dien-1-yl)-2-(2-methoxyethoxy)-5-nitrobenzenesulfonamide Traditional Name: N-(4-tert-butyl-3-cetyloxy-6-keto-3-methoxy-cyclohexa-1,4-dien-1-yl)-2-(2-methoxyethoxy)-5-nitro-benzenesulfonamide Formula: C36H58N2O9S MolecularWeight: 694.91872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1(C=C(C(=O)C=C1C(C)(C)C)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OCCOC)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1(C=C(C(=O)C=C1C(C)(C)C)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OCCOC)OC

InChI

InChI=1S/C36H58N2O9S/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-47-36(45-6)28-30(31(39)27-34(36)35(2,3)4)37-48(42,43)33-26-29(38(40)41)21-22-32(33)46-25-24-44-5/h21-22,26-28,37H,7-20,23-25H2,1-6H3