5-[5-chloranyl-5-(3-hydroxyphenyl)-2-methyl-pentyl]-1,3-benzodioxole-2,2-dicarboxylic acid

Systemtic Name: 5-[5-chloranyl-5-(3-hydroxyphenyl)-2-methyl-pentyl]-1,3-benzodioxole-2,2-dicarboxylic acid Openeye Name: 5-[5-chloro-5-(3-hydroxyphenyl)-2-methyl-pentyl]-1,3-benzodioxole-2,2-dicarboxylic acid CAS Name: 5-[5-chloro-5-(3-hydroxyphenyl)-2-methylpentyl]-1,3-benzodioxole-2,2-dicarboxylic acid IUPAC Name: 5-[5-chloro-5-(3-hydroxyphenyl)-2-methylpentyl]-1,3-benzodioxole-2,2-dicarboxylic acid Traditional Name: 5-[5-chloro-5-(3-hydroxyphenyl)-2-methyl-pentyl]-1,3-benzodioxole-2,2-dicarboxylic acid Formula: C21H21ClO7 MolecularWeight: 420.84024

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(C1=CC(=CC=C1)O)Cl)CC2=CC3=C(C=C2)OC(O3)(C(=O)O)C(=O)O

Isomeric SMILES

CC(CCC(C1=CC(=CC=C1)O)Cl)CC2=CC3=C(C=C2)OC(O3)(C(=O)O)C(=O)O

InChI

InChI=1S/C21H21ClO7/c1-12(5-7-16(22)14-3-2-4-15(23)11-14)9-13-6-8-17-18(10-13)29-21(28-17,19(24)25)20(26)27/h2-4,6,8,10-12,16,23H,5,7,9H2,1H3,(H,24,25)(H,26,27)