6-chloranyl-4-hexyl-4-methyl-1,3-benzodioxine-2-carboxylic acid

Systemtic Name: 6-chloranyl-4-hexyl-4-methyl-1,3-benzodioxine-2-carboxylic acid Openeye Name: 6-chloro-4-hexyl-4-methyl-1,3-benzodioxine-2-carboxylic acid CAS Name: 6-chloro-4-hexyl-4-methyl-1,3-benzodioxin-2-carboxylic acid IUPAC Name: 6-chloro-4-hexyl-4-methyl-1,3-benzodioxine-2-carboxylic acid Traditional Name: 6-chloro-4-hexyl-4-methyl-1,3-benzodioxin-2-carboxylic acid Formula: C16H21ClO4 MolecularWeight: 312.78854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(C2=C(C=CC(=C2)Cl)OC(O1)C(=O)O)C

Isomeric SMILES

CCCCCCC1(C2=C(C=CC(=C2)Cl)OC(O1)C(=O)O)C

InChI

InChI=1S/C16H21ClO4/c1-3-4-5-6-9-16(2)12-10-11(17)7-8-13(12)20-15(21-16)14(18)19/h7-8,10,15H,3-6,9H2,1-2H3,(H,18,19)