2-(3-chloranyl-4-dodecoxy-phenyl)benzoic acid

Systemtic Name: 2-(3-chloranyl-4-dodecoxy-phenyl)benzoic acid Openeye Name: 2-(3-chloro-4-dodecoxy-phenyl)benzoic acid CAS Name: 2-(3-chloro-4-dodecoxyphenyl)benzoic acid IUPAC Name: 2-(3-chloro-4-dodecoxyphenyl)benzoic acid Traditional Name: 2-(3-chloro-4-lauryloxy-phenyl)benzoic acid Formula: C25H33ClO3 MolecularWeight: 416.98072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C2=CC=CC=C2C(=O)O)Cl

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C2=CC=CC=C2C(=O)O)Cl

InChI

InChI=1S/C25H33ClO3/c1-2-3-4-5-6-7-8-9-10-13-18-29-24-17-16-20(19-23(24)26)21-14-11-12-15-22(21)25(27)28/h11-12,14-17,19H,2-10,13,18H2,1H3,(H,27,28)