5-chloranyl-6-(3-methoxyphenyl)sulfonyl-1,3-benzodioxole-2-carboxylic acid

Systemtic Name: 5-chloranyl-6-(3-methoxyphenyl)sulfonyl-1,3-benzodioxole-2-carboxylic acid Openeye Name: 5-chloro-6-(3-methoxyphenyl)sulfonyl-1,3-benzodioxole-2-carboxylic acid CAS Name: 5-chloro-6-(3-methoxyphenyl)sulfonyl-1,3-benzodioxole-2-carboxylic acid IUPAC Name: 5-chloro-6-(3-methoxyphenyl)sulfonyl-1,3-benzodioxole-2-carboxylic acid Traditional Name: 5-chloro-6-(3-methoxyphenyl)sulfonyl-1,3-benzodioxole-2-carboxylic acid Formula: C15H11ClO7S MolecularWeight: 370.76164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)S(=O)(=O)C2=C(C=C3C(=C2)OC(O3)C(=O)O)Cl

Isomeric SMILES

COC1=CC(=CC=C1)S(=O)(=O)C2=C(C=C3C(=C2)OC(O3)C(=O)O)Cl

InChI

InChI=1S/C15H11ClO7S/c1-21-8-3-2-4-9(5-8)24(19,20)13-7-12-11(6-10(13)16)22-15(23-12)14(17)18/h2-7,15H,1H3,(H,17,18)