2-[(5-chloranyl-2-phenyl-1,3-benzodioxol-2-yl)methyl]butanoic acid

Systemtic Name: 2-[(5-chloranyl-2-phenyl-1,3-benzodioxol-2-yl)methyl]butanoic acid Openeye Name: 2-[(5-chloro-2-phenyl-1,3-benzodioxol-2-yl)methyl]butanoic acid CAS Name: 2-[(5-chloro-2-phenyl-1,3-benzodioxol-2-yl)methyl]butanoic acid IUPAC Name: 2-[(5-chloro-2-phenyl-1,3-benzodioxol-2-yl)methyl]butanoic acid Traditional Name: 2-[(5-chloro-2-phenyl-1,3-benzodioxol-2-yl)methyl]butyric acid Formula: C18H17ClO4 MolecularWeight: 332.77818

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1(OC2=C(O1)C=C(C=C2)Cl)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC(CC1(OC2=C(O1)C=C(C=C2)Cl)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H17ClO4/c1-2-12(17(20)21)11-18(13-6-4-3-5-7-13)22-15-9-8-14(19)10-16(15)23-18/h3-10,12H,2,11H2,1H3,(H,20,21)