[(7R)-3-heptyl-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] octanoate

Systemtic Name: [(7R)-3-heptyl-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] octanoate Openeye Name: [(7R)-3-heptyl-7-methyl-6,8-dioxo-isochromen-7-yl] octanoate CAS Name: octanoic acid [(7R)-3-heptyl-7-methyl-6,8-dioxo-2-benzopyran-7-yl] ester IUPAC Name: [(7R)-3-heptyl-7-methyl-6,8-dioxoisochromen-7-yl] octanoate Traditional Name: caprylic acid [(7R)-3-heptyl-6,8-diketo-7-methyl-isochromen-7-yl] ester Formula: C25H36O5 MolecularWeight: 416.55034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC2=CC(=O)C(C(=O)C2=CO1)(C)OC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCC1=CC2=CC(=O)[C@@](C(=O)C2=CO1)(C)OC(=O)CCCCCCC

InChI

InChI=1S/C25H36O5/c1-4-6-8-10-12-14-20-16-19-17-22(26)25(3,24(28)21(19)18-29-20)30-23(27)15-13-11-9-7-5-2/h16-18H,4-15H2,1-3H3/t25-/m1/s1