[(7R)-3,7-dimethyl-6,8-bis(oxidanylidene)isochromen-7-yl] octadecanoate

Systemtic Name: [(7R)-3,7-dimethyl-6,8-bis(oxidanylidene)isochromen-7-yl] octadecanoate Openeye Name: [(7R)-3,7-dimethyl-6,8-dioxo-isochromen-7-yl] octadecanoate CAS Name: octadecanoic acid [(7R)-3,7-dimethyl-6,8-dioxo-2-benzopyran-7-yl] ester IUPAC Name: [(7R)-3,7-dimethyl-6,8-dioxoisochromen-7-yl] octadecanoate Traditional Name: stearic acid [(7R)-6,8-diketo-3,7-dimethyl-isochromen-7-yl] ester Formula: C29H44O5 MolecularWeight: 472.65666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1(C(=O)C=C2C=C(OC=C2C1=O)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)O[C@@]1(C(=O)C=C2C=C(OC=C2C1=O)C)C

InChI

InChI=1S/C29H44O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(31)34-29(3)26(30)21-24-20-23(2)33-22-25(24)28(29)32/h20-22H,4-19H2,1-3H3/t29-/m1/s1