5-decyl-2-(1,4,8,11-tetraoxacyclotetradec-2-ylmethoxy)benzoyl chloride

Systemtic Name: 5-decyl-2-(1,4,8,11-tetraoxacyclotetradec-2-ylmethoxy)benzoyl chloride Openeye Name: 5-decyl-2-(1,4,8,11-tetraoxacyclotetradec-2-ylmethoxy)benzoyl chloride CAS Name: 5-decyl-2-(1,4,8,11-tetraoxacyclotetradec-2-ylmethoxy)benzoyl chloride IUPAC Name: 5-decyl-2-(1,4,8,11-tetraoxacyclotetradec-2-ylmethoxy)benzoyl chloride Traditional Name: 5-decyl-2-(1,4,8,11-tetraoxacyclotetradec-2-ylmethoxy)benzoyl chloride Formula: C28H45ClO6 MolecularWeight: 513.1063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC(=C(C=C1)OCC2COCCCOCCOCCCO2)C(=O)Cl

Isomeric SMILES

CCCCCCCCCCC1=CC(=C(C=C1)OCC2COCCCOCCOCCCO2)C(=O)Cl

InChI

InChI=1S/C28H45ClO6/c1-2-3-4-5-6-7-8-9-12-24-13-14-27(26(21-24)28(29)30)35-23-25-22-33-17-10-15-31-19-20-32-16-11-18-34-25/h13-14,21,25H,2-12,15-20,22-23H2,1H3