3-[4-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]phenoxy]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-olate

Systemtic Name: 3-[4-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]phenoxy]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-olate Openeye Name: 3-[4-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]phenoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-olate CAS Name: 3-[4-[(2E,4E,6E,8E)-3,7-dimethyl-1-oxo-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl]phenoxy]-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanolate IUPAC Name: 3-[4-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]phenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-olate Traditional Name: 3-[4-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]phenoxy]-4,5-dihydroxy-6-methylol-tetrahydropyran-2-olate Formula: C32H41O7- MolecularWeight: 537.66374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)C2=CC=C(C=C2)OC3C(C(C(OC3[O-])CO)O)O)C)C

Isomeric SMILES

CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)C2=CC=C(C=C2)OC3C(C(C(OC3[O-])CO)O)O)/C)/C

InChI

InChI=1S/C32H41O7/c1-20(11-16-25-22(3)10-7-17-32(25,4)5)8-6-9-21(2)18-26(34)23-12-14-24(15-13-23)38-30-29(36)28(35)27(19-33)39-31(30)37/h6,8-9,11-16,18,27-31,33,35-36H,7,10,17,19H2,1-5H3/q-1/b9-6+,16-11+,20-8+,21-18+