bis(1-chloroethyl) 3-octadecanoyl-2,3,4-tris(oxidanyl)pentanedioate

Systemtic Name: bis(1-chloroethyl) 3-octadecanoyl-2,3,4-tris(oxidanyl)pentanedioate Openeye Name: bis(1-chloroethyl) 2,3,4-trihydroxy-3-octadecanoyl-pentanedioate CAS Name: 2,3,4-trihydroxy-3-(1-oxooctadecyl)pentanedioic acid bis(1-chloroethyl) ester IUPAC Name: bis(1-chloroethyl) 2,3,4-trihydroxy-3-octadecanoylpentanedioate Traditional Name: 2,3,4-trihydroxy-3-stearoyl-glutaric acid bis(1-chloroethyl) ester Formula: C27H48Cl2O8 MolecularWeight: 571.57122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(C(C(=O)OC(C)Cl)O)(C(C(=O)OC(C)Cl)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(C(C(=O)OC(C)Cl)O)(C(C(=O)OC(C)Cl)O)O

InChI

InChI=1S/C27H48Cl2O8/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(30)27(35,23(31)25(33)36-20(2)28)24(32)26(34)37-21(3)29/h20-21,23-24,31-32,35H,4-19H2,1-3H3