[2-methyl-4,5-bis(oxidanyl)-10-oxidanylidene-9H-anthracen-9-yl] octacosanoate

Systemtic Name: [2-methyl-4,5-bis(oxidanyl)-10-oxidanylidene-9H-anthracen-9-yl] octacosanoate Openeye Name: (4,5-dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl) octacosanoate CAS Name: octacosanoic acid (4,5-dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl) ester IUPAC Name: (4,5-dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl) octacosanoate Traditional Name: montanic acid (4,5-dihydroxy-10-keto-2-methyl-9H-anthracen-9-yl) ester Formula: C43H66O5 MolecularWeight: 662.98114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC1C2=C(C(=CC=C2)O)C(=O)C3=C(C=C(C=C13)C)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC1C2=C(C(=CC=C2)O)C(=O)C3=C(C=C(C=C13)C)O

InChI

InChI=1S/C43H66O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-31-39(46)48-43-35-29-28-30-37(44)40(35)42(47)41-36(43)32-34(2)33-38(41)45/h28-30,32-33,43-45H,3-27,31H2,1-2H3