cyclohexa-1,3-dien-1-yl 2-chloranyl-3-[12-[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propanoyl]oxydodecoxy]benzoate

Systemtic Name: cyclohexa-1,3-dien-1-yl 2-chloranyl-3-[12-[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propanoyl]oxydodecoxy]benzoate Openeye Name: cyclohexa-1,3-dien-1-yl 2-chloro-3-[12-[3-hydroxy-2-(hydroxymethyl)-2-methyl-propanoyl]oxydodecoxy]benzoate CAS Name: 2-chloro-3-[12-[3-hydroxy-2-(hydroxymethyl)-2-methyl-1-oxopropoxy]dodecoxy]benzoic acid 1-cyclohexa-1,3-dienyl ester IUPAC Name: cyclohexa-1,3-dien-1-yl 2-chloro-3-[12-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxydodecoxy]benzoate Traditional Name: 2-chloro-3-[12-(3-hydroxy-2-methyl-2-methylol-propanoyl)oxydodecoxy]benzoic acid cyclohexa-1,3-dien-1-yl ester Formula: C30H43ClO7 MolecularWeight: 551.11122

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)C(=O)OCCCCCCCCCCCCOC1=CC=CC(=C1Cl)C(=O)OC2=CC=CCC2

Isomeric SMILES

CC(CO)(CO)C(=O)OCCCCCCCCCCCCOC1=CC=CC(=C1Cl)C(=O)OC2=CC=CCC2

InChI

InChI=1S/C30H43ClO7/c1-30(22-32,23-33)29(35)37-21-14-9-7-5-3-2-4-6-8-13-20-36-26-19-15-18-25(27(26)31)28(34)38-24-16-11-10-12-17-24/h10-11,15-16,18-19,32-33H,2-9,12-14,17,20-23H2,1H3