methyl 5-chloranyl-2,4-bis(oxidanyl)-3-(1-oxidanyldodecyl)benzoate

Systemtic Name: methyl 5-chloranyl-2,4-bis(oxidanyl)-3-(1-oxidanyldodecyl)benzoate Openeye Name: methyl 5-chloro-2,4-dihydroxy-3-(1-hydroxydodecyl)benzoate CAS Name: 5-chloro-2,4-dihydroxy-3-(1-hydroxydodecyl)benzoic acid methyl ester IUPAC Name: methyl 5-chloro-2,4-dihydroxy-3-(1-hydroxydodecyl)benzoate Traditional Name: 5-chloro-2,4-dihydroxy-3-(1-hydroxydodecyl)benzoic acid methyl ester Formula: C20H31ClO5 MolecularWeight: 386.91014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C1=C(C(=CC(=C1O)Cl)C(=O)OC)O)O

Isomeric SMILES

CCCCCCCCCCCC(C1=C(C(=CC(=C1O)Cl)C(=O)OC)O)O

InChI

InChI=1S/C20H31ClO5/c1-3-4-5-6-7-8-9-10-11-12-16(22)17-18(23)14(20(25)26-2)13-15(21)19(17)24/h13,16,22-24H,3-12H2,1-2H3