2-[4-acetyloxy-6-chloranyl-1-oxidanylidene-1-(3-oxidanylpropoxy)octan-2-yl]-3-methyl-butanedioic acid

Systemtic Name: 2-[4-acetyloxy-6-chloranyl-1-oxidanylidene-1-(3-oxidanylpropoxy)octan-2-yl]-3-methyl-butanedioic acid Openeye Name: 2-[3-acetoxy-5-chloro-1-(3-hydroxypropoxycarbonyl)heptyl]-3-methyl-butanedioic acid CAS Name: 2-[4-acetyloxy-6-chloro-1-(3-hydroxypropoxy)-1-oxooctan-2-yl]-3-methylbutanedioic acid IUPAC Name: 2-[4-acetyloxy-6-chloro-1-(3-hydroxypropoxy)-1-oxooctan-2-yl]-3-methylbutanedioic acid Traditional Name: 2-[3-acetoxy-5-chloro-1-(3-hydroxypropoxycarbonyl)heptyl]-3-methyl-succinic acid Formula: C18H29ClO9 MolecularWeight: 424.87046

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC(C(C(C)C(=O)O)C(=O)O)C(=O)OCCCO)OC(=O)C)Cl

Isomeric SMILES

CCC(CC(CC(C(C(C)C(=O)O)C(=O)O)C(=O)OCCCO)OC(=O)C)Cl

InChI

InChI=1S/C18H29ClO9/c1-4-12(19)8-13(28-11(3)21)9-14(18(26)27-7-5-6-20)15(17(24)25)10(2)16(22)23/h10,12-15,20H,4-9H2,1-3H3,(H,22,23)(H,24,25)