3,5-bis(chloranyl)-4-(1-hexadecoxycarbonyloxyethyl)benzoic acid

Systemtic Name: 3,5-bis(chloranyl)-4-(1-hexadecoxycarbonyloxyethyl)benzoic acid Openeye Name: 3,5-dichloro-4-(1-hexadecoxycarbonyloxyethyl)benzoic acid CAS Name: 3,5-dichloro-4-[1-[hexadecoxy(oxo)methoxy]ethyl]benzoic acid IUPAC Name: 3,5-dichloro-4-(1-hexadecoxycarbonyloxyethyl)benzoic acid Traditional Name: 4-(1-cetyloxycarbonyloxyethyl)-3,5-dichloro-benzoic acid Formula: C26H40Cl2O5 MolecularWeight: 503.4988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)OC(C)C1=C(C=C(C=C1Cl)C(=O)O)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)OC(C)C1=C(C=C(C=C1Cl)C(=O)O)Cl

InChI

InChI=1S/C26H40Cl2O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-32-26(31)33-20(2)24-22(27)18-21(25(29)30)19-23(24)28/h18-20H,3-17H2,1-2H3,(H,29,30)