2-[8-(3-octylthiiran-2-yl)octanoylamino]ethyl 8-(3-octylthiiran-2-yl)octanoate

Systemtic Name: 2-[8-(3-octylthiiran-2-yl)octanoylamino]ethyl 8-(3-octylthiiran-2-yl)octanoate Openeye Name: 2-[8-(3-octylthiiran-2-yl)octanoylamino]ethyl 8-(3-octylthiiran-2-yl)octanoate CAS Name: 8-(3-octyl-2-thiiranyl)octanoic acid 2-[[8-(3-octyl-2-thiiranyl)-1-oxooctyl]amino]ethyl ester IUPAC Name: 2-[8-(3-octylthiiran-2-yl)octanoylamino]ethyl 8-(3-octylthiiran-2-yl)octanoate Traditional Name: 8-(3-octylthiiran-2-yl)caprylic acid 2-[8-(3-octylthiiran-2-yl)octanoylamino]ethyl ester Formula: C38H71NO3S2 MolecularWeight: 654.10524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(S1)CCCCCCCC(=O)NCCOC(=O)CCCCCCCC2C(S2)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1C(S1)CCCCCCCC(=O)NCCOC(=O)CCCCCCCC2C(S2)CCCCCCCC

InChI

InChI=1S/C38H71NO3S2/c1-3-5-7-9-13-19-25-33-35(43-33)27-21-15-11-17-23-29-37(40)39-31-32-42-38(41)30-24-18-12-16-22-28-36-34(44-36)26-20-14-10-8-6-4-2/h33-36H,3-32H2,1-2H3,(H,39,40)