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

Systemtic Name: hexadecyl 2-oxidanyl-5-[[(E)-(3-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoate Openeye Name: hexadecyl 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 hexadecyl ester IUPAC Name: hexadecyl 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 cetyl ester Formula: C30H43NO5 MolecularWeight: 497.66612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-36-30(35)27-22-25(16-18-29(27)34)31-23-24-21-26(32)17-19-28(24)33/h16-19,21-23,31-32,34H,2-15,20H2,1H3/b24-23+