7-chloranyl-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylic acid

Systemtic Name: 7-chloranyl-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylic acid Openeye Name: 7-chloro-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylic acid CAS Name: 7-chloro-4-methyl-4-phenyl-1,3-benzodioxin-2-carboxylic acid IUPAC Name: 7-chloro-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylic acid Traditional Name: 7-chloro-4-methyl-4-phenyl-1,3-benzodioxin-2-carboxylic acid Formula: C16H13ClO4 MolecularWeight: 304.72502

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=C(C=C2)Cl)OC(O1)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1(C2=C(C=C(C=C2)Cl)OC(O1)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C16H13ClO4/c1-16(10-5-3-2-4-6-10)12-8-7-11(17)9-13(12)20-15(21-16)14(18)19/h2-9,15H,1H3,(H,18,19)