(2-heptyl-4,6,7-trimethyl-1,3-benzoxathiol-5-yl) octanoate

Systemtic Name: (2-heptyl-4,6,7-trimethyl-1,3-benzoxathiol-5-yl) octanoate Openeye Name: (2-heptyl-4,6,7-trimethyl-1,3-benzoxathiol-5-yl) octanoate CAS Name: octanoic acid (2-heptyl-4,6,7-trimethyl-1,3-benzoxathiol-5-yl) ester IUPAC Name: (2-heptyl-4,6,7-trimethyl-1,3-benzoxathiol-5-yl) octanoate Traditional Name: caprylic acid (2-heptyl-4,6,7-trimethyl-1,3-benzoxathiol-5-yl) ester Formula: C25H40O3S MolecularWeight: 420.6483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1OC2=C(S1)C(=C(C(=C2C)C)OC(=O)CCCCCCC)C

Isomeric SMILES

CCCCCCCC1OC2=C(S1)C(=C(C(=C2C)C)OC(=O)CCCCCCC)C

InChI

InChI=1S/C25H40O3S/c1-6-8-10-12-14-16-21(26)27-23-18(3)19(4)24-25(20(23)5)29-22(28-24)17-15-13-11-9-7-2/h22H,6-17H2,1-5H3