(7-chloranyl-3-methyl-10-octanoyloxy-3,4-dihydrobenzo[g][1,2]benzodioxin-5-yl) octanoate

Systemtic Name: (7-chloranyl-3-methyl-10-octanoyloxy-3,4-dihydrobenzo[g][1,2]benzodioxin-5-yl) octanoate Openeye Name: (7-chloro-3-methyl-10-octanoyloxy-3,4-dihydrobenzo[g][1,2]benzodioxin-5-yl) octanoate CAS Name: octanoic acid [7-chloro-3-methyl-10-(1-oxooctoxy)-3,4-dihydrobenzo[g][1,2]benzodioxin-5-yl] ester IUPAC Name: (7-chloro-3-methyl-10-octanoyloxy-3,4-dihydrobenzo[g][1,2]benzodioxin-5-yl) octanoate Traditional Name: caprylic acid (10-caprylyloxy-7-chloro-3-methyl-3,4-dihydrobenzo[g][1,2]benzodioxin-5-yl) ester Formula: C29H39ClO6 MolecularWeight: 519.06936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=C2CC(OOC2=C(C3=C1C=C(C=C3)Cl)OC(=O)CCCCCCC)C

Isomeric SMILES

CCCCCCCC(=O)OC1=C2CC(OOC2=C(C3=C1C=C(C=C3)Cl)OC(=O)CCCCCCC)C

InChI

InChI=1S/C29H39ClO6/c1-4-6-8-10-12-14-25(31)33-27-23-19-21(30)16-17-22(23)28(29-24(27)18-20(3)35-36-29)34-26(32)15-13-11-9-7-5-2/h16-17,19-20H,4-15,18H2,1-3H3