5,7-bis(oxidanyl)-3-oxidanylidene-6-[(E)-3-oxidanylidenetetradec-4-enyl]-1,2-dihydroisoindole-4-carboxylic acid

Systemtic Name: 5,7-bis(oxidanyl)-3-oxidanylidene-6-[(E)-3-oxidanylidenetetradec-4-enyl]-1,2-dihydroisoindole-4-carboxylic acid Openeye Name: 5,7-dihydroxy-3-oxo-6-[(E)-3-oxotetradec-4-enyl]isoindoline-4-carboxylic acid CAS Name: 5,7-dihydroxy-3-oxo-6-[(E)-3-oxotetradec-4-enyl]-1,2-dihydroisoindole-4-carboxylic acid IUPAC Name: 5,7-dihydroxy-3-oxo-6-[(E)-3-oxotetradec-4-enyl]-1,2-dihydroisoindole-4-carboxylic acid Traditional Name: 5,7-dihydroxy-3-keto-6-[(E)-3-ketotetradec-4-enyl]isoindoline-4-carboxylic acid Formula: C23H31NO6 MolecularWeight: 417.49534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC=CC(=O)CCC1=C(C(=C2C(=C1O)CNC2=O)C(=O)O)O

Isomeric SMILES

CCCCCCCCC/C=C/C(=O)CCC1=C(C(=C2C(=C1O)CNC2=O)C(=O)O)O

InChI

InChI=1S/C23H31NO6/c1-2-3-4-5-6-7-8-9-10-11-15(25)12-13-16-20(26)17-14-24-22(28)18(17)19(21(16)27)23(29)30/h10-11,26-27H,2-9,12-14H2,1H3,(H,24,28)(H,29,30)/b11-10+