3,5,5-trimethylhexyl 2-oxidanyl-5-[[(E)-(3-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoate

Systemtic Name: 3,5,5-trimethylhexyl 2-oxidanyl-5-[[(E)-(3-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoate Openeye Name: 3,5,5-trimethylhexyl 2-hydroxy-5-[[(E)-(3-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoate CAS Name: 2-hydroxy-5-[[(E)-(3-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]benzoic acid 3,5,5-trimethylhexyl ester IUPAC Name: 3,5,5-trimethylhexyl 2-hydroxy-5-[[(E)-(3-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoate Traditional Name: 2-hydroxy-5-[[(E)-(3-hydroxy-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid 3,5,5-trimethylhexyl ester Formula: C23H29NO5 MolecularWeight: 399.48006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC(=O)C1=C(C=CC(=C1)NC=C2C=C(C=CC2=O)O)O)CC(C)(C)C

Isomeric SMILES

CC(CCOC(=O)C1=C(C=CC(=C1)N/C=C/2\C=C(C=CC2=O)O)O)CC(C)(C)C

InChI

InChI=1S/C23H29NO5/c1-15(13-23(2,3)4)9-10-29-22(28)19-12-17(5-7-21(19)27)24-14-16-11-18(25)6-8-20(16)26/h5-8,11-12,14-15,24-25,27H,9-10,13H2,1-4H3/b16-14+