(6E)-2-heptadecyl-6-[(3-heptadecyl-4-methyl-2-oxidanyl-phenyl)-(oxidanylamino)methylidene]-3-methyl-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-2-heptadecyl-6-[(3-heptadecyl-4-methyl-2-oxidanyl-phenyl)-(oxidanylamino)methylidene]-3-methyl-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-2-heptadecyl-6-[(3-heptadecyl-2-hydroxy-4-methyl-phenyl)-(hydroxyamino)methylene]-3-methyl-cyclohexa-2,4-dien-1-one CAS Name: (6E)-2-heptadecyl-6-[(3-heptadecyl-2-hydroxy-4-methylphenyl)-(hydroxyamino)methylidene]-3-methyl-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-2-heptadecyl-6-[(3-heptadecyl-2-hydroxy-4-methylphenyl)-(hydroxyamino)methylidene]-3-methylcyclohexa-2,4-dien-1-one Traditional Name: (6E)-2-heptadecyl-6-[(3-heptadecyl-2-hydroxy-4-methyl-phenyl)-(hydroxyamino)methylene]-3-methyl-cyclohexa-2,4-dien-1-one Formula: C49H83NO3 MolecularWeight: 734.18822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=C(C=CC(=C1O)C(=C2C=CC(=C(C2=O)CCCCCCCCCCCCCCCCC)C)NO)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=C(C=CC(=C1O)/C(=C\2/C=CC(=C(C2=O)CCCCCCCCCCCCCCCCC)C)/NO)C

InChI

InChI=1S/C49H83NO3/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-43-41(3)37-39-45(48(43)51)47(50-53)46-40-38-42(4)44(49(46)52)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h37-40,50-51,53H,5-36H2,1-4H3/b47-46+