4-[(5S,7R)-5,7-bis(oxidanyl)-3-oxidanylidene-icosyl]-4-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[(5S,7R)-5,7-bis(oxidanyl)-3-oxidanylidene-icosyl]-4-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[(5S,7R)-5,7-dihydroxy-3-oxo-icosyl]-4-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[(5S,7R)-5,7-dihydroxy-3-oxoeicosyl]-4-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[(5S,7R)-5,7-dihydroxy-3-oxoicosyl]-4-hydroxycyclohexa-2,5-dien-1-one Traditional Name: 4-[(5S,7R)-5,7-dihydroxy-3-keto-eicosyl]-4-hydroxy-cyclohexa-2,5-dien-1-one Formula: C26H44O5 MolecularWeight: 436.62456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(CC(=O)CCC1(C=CC(=O)C=C1)O)O)O

Isomeric SMILES

CCCCCCCCCCCCC[C@H](C[C@@H](CC(=O)CCC1(C=CC(=O)C=C1)O)O)O

InChI

InChI=1S/C26H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-23(28)20-25(30)21-24(29)16-19-26(31)17-14-22(27)15-18-26/h14-15,17-18,23,25,28,30-31H,2-13,16,19-21H2,1H3/t23-,25+/m1/s1