1-(3-butoxy-4-oxidanyl-phenyl)-5-oxidanyl-hexadecan-3-one

Systemtic Name: 1-(3-butoxy-4-oxidanyl-phenyl)-5-oxidanyl-hexadecan-3-one Openeye Name: 1-(3-butoxy-4-hydroxy-phenyl)-5-hydroxy-hexadecan-3-one CAS Name: 1-(3-butoxy-4-hydroxyphenyl)-5-hydroxy-3-hexadecanone IUPAC Name: 1-(3-butoxy-4-hydroxyphenyl)-5-hydroxyhexadecan-3-one Traditional Name: 1-(3-butoxy-4-hydroxy-phenyl)-5-hydroxy-hexadecan-3-one Formula: C26H44O4 MolecularWeight: 420.62516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OCCCC)O

Isomeric SMILES

CCCCCCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OCCCC)O

InChI

InChI=1S/C26H44O4/c1-3-5-7-8-9-10-11-12-13-14-23(27)21-24(28)17-15-22-16-18-25(29)26(20-22)30-19-6-4-2/h16,18,20,23,27,29H,3-15,17,19,21H2,1-2H3