7-[(2E,5S,6E)-8-ethanoyl-3,7,11-trimethyl-5-oxidanyl-dodeca-2,6,10-trienoxy]chromen-2-one

Systemtic Name: 7-[(2E,5S,6E)-8-ethanoyl-3,7,11-trimethyl-5-oxidanyl-dodeca-2,6,10-trienoxy]chromen-2-one Openeye Name: 7-[(2E,5S,6E)-8-acetyl-5-hydroxy-3,7,11-trimethyl-dodeca-2,6,10-trienoxy]chromen-2-one CAS Name: 7-[(2E,5S,6E)-8-acetyl-5-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]-1-benzopyran-2-one IUPAC Name: 7-[(2E,5S,6E)-8-acetyl-5-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one Traditional Name: 7-[(2E,5S,6E)-8-acetyl-5-hydroxy-3,7,11-trimethyl-dodeca-2,6,10-trienoxy]coumarin Formula: C26H32O5 MolecularWeight: 424.52928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC(C(=CC(CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)O)C)C(=O)C)C

Isomeric SMILES

CC(=CCC(/C(=C/[C@H](C/C(=C/COC1=CC2=C(C=C1)C=CC(=O)O2)/C)O)/C)C(=O)C)C

InChI

InChI=1S/C26H32O5/c1-17(2)6-10-24(20(5)27)19(4)15-22(28)14-18(3)12-13-30-23-9-7-21-8-11-26(29)31-25(21)16-23/h6-9,11-12,15-16,22,24,28H,10,13-14H2,1-5H3/b18-12+,19-15+/t22-,24?/m0/s1