[5-[[2-chloroethyl(nitroso)carbamoyl]amino]-6-methoxy-3,4-bis(oxidanyl)oxan-2-yl]methyl octanoate

Systemtic Name: [5-[[2-chloroethyl(nitroso)carbamoyl]amino]-6-methoxy-3,4-bis(oxidanyl)oxan-2-yl]methyl octanoate Openeye Name: [5-[[2-chloroethyl(nitroso)carbamoyl]amino]-3,4-dihydroxy-6-methoxy-tetrahydropyran-2-yl]methyl octanoate CAS Name: octanoic acid [5-[[[2-chloroethyl(nitroso)amino]-oxomethyl]amino]-3,4-dihydroxy-6-methoxy-2-oxanyl]methyl ester IUPAC Name: [5-[[2-chloroethyl(nitroso)carbamoyl]amino]-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl octanoate Traditional Name: caprylic acid [5-[[2-chloroethyl(nitroso)carbamoyl]amino]-3,4-dihydroxy-6-methoxy-tetrahydropyran-2-yl]methyl ester Formula: C18H32ClN3O8 MolecularWeight: 453.91498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC1C(C(C(C(O1)OC)NC(=O)N(CCCl)N=O)O)O

Isomeric SMILES

CCCCCCCC(=O)OCC1C(C(C(C(O1)OC)NC(=O)N(CCCl)N=O)O)O

InChI

InChI=1S/C18H32ClN3O8/c1-3-4-5-6-7-8-13(23)29-11-12-15(24)16(25)14(17(28-2)30-12)20-18(26)22(21-27)10-9-19/h12,14-17,24-25H,3-11H2,1-2H3,(H,20,26)