2-chloranyl-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]octadecanoyl]benzoic acid

Systemtic Name: 2-chloranyl-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]octadecanoyl]benzoic acid Openeye Name: 4-(2-tert-butoxycarbonyloctadecanoyl)-2-chloro-benzoic acid CAS Name: 2-chloro-4-[2-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-oxooctadecyl]benzoic acid IUPAC Name: 2-chloro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]octadecanoyl]benzoic acid Traditional Name: 4-(2-tert-butoxycarbonyloctadecanoyl)-2-chloro-benzoic acid Formula: C30H47ClO5 MolecularWeight: 523.14418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(=O)C1=CC(=C(C=C1)C(=O)O)Cl)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(=O)C1=CC(=C(C=C1)C(=O)O)Cl)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H47ClO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(29(35)36-30(2,3)4)27(32)23-20-21-24(28(33)34)26(31)22-23/h20-22,25H,5-19H2,1-4H3,(H,33,34)