2-[methyl-[8-(3-octylthiiran-2-yl)octanoyl]amino]ethyl 8-(3-octylthiiran-2-yl)octanoate

Systemtic Name: 2-[methyl-[8-(3-octylthiiran-2-yl)octanoyl]amino]ethyl 8-(3-octylthiiran-2-yl)octanoate Openeye Name: 2-[methyl-[8-(3-octylthiiran-2-yl)octanoyl]amino]ethyl 8-(3-octylthiiran-2-yl)octanoate CAS Name: 8-(3-octyl-2-thiiranyl)octanoic acid 2-[methyl-[8-(3-octyl-2-thiiranyl)-1-oxooctyl]amino]ethyl ester IUPAC Name: 2-[methyl-[8-(3-octylthiiran-2-yl)octanoyl]amino]ethyl 8-(3-octylthiiran-2-yl)octanoate Traditional Name: 8-(3-octylthiiran-2-yl)caprylic acid 2-[methyl-[8-(3-octylthiiran-2-yl)octanoyl]amino]ethyl ester Formula: C39H73NO3S2 MolecularWeight: 668.13182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(S1)CCCCCCCC(=O)N(C)CCOC(=O)CCCCCCCC2C(S2)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1C(S1)CCCCCCCC(=O)N(C)CCOC(=O)CCCCCCCC2C(S2)CCCCCCCC

InChI

InChI=1S/C39H73NO3S2/c1-4-6-8-10-14-20-26-34-36(44-34)28-22-16-12-18-24-30-38(41)40(3)32-33-43-39(42)31-25-19-13-17-23-29-37-35(45-37)27-21-15-11-9-7-5-2/h34-37H,4-33H2,1-3H3