4-[(E)-4-[(6E)-6-hydroxyimino-2-methyl-cyclohexen-1-yl]but-3-en-1-ynyl]benzoic acid

Systemtic Name: 4-[(E)-4-[(6E)-6-hydroxyimino-2-methyl-cyclohexen-1-yl]but-3-en-1-ynyl]benzoic acid Openeye Name: 4-[(E)-4-[(6E)-6-hydroxyimino-2-methyl-cyclohexen-1-yl]but-3-en-1-ynyl]benzoic acid CAS Name: 4-[(E)-4-[(6E)-6-hydroxyimino-2-methyl-1-cyclohexenyl]but-3-en-1-ynyl]benzoic acid IUPAC Name: 4-[(E)-4-[(6E)-6-hydroxyimino-2-methylcyclohexen-1-yl]but-3-en-1-ynyl]benzoic acid Traditional Name: 4-[(E)-4-[(6E)-6-hydroximino-2-methyl-cyclohexen-1-yl]but-3-en-1-ynyl]benzoic acid Formula: C18H17NO3 MolecularWeight: 295.33248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO)CCC1)C=CC#CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=C(/C(=N/O)/CCC1)/C=C/C#CC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H17NO3/c1-13-5-4-8-17(19-22)16(13)7-3-2-6-14-9-11-15(12-10-14)18(20)21/h3,7,9-12,22H,4-5,8H2,1H3,(H,20,21)/b7-3+,19-17+