3-chloranyl-5-methoxy-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyloxy)benzoic acid

Systemtic Name: 3-chloranyl-5-methoxy-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyloxy)benzoic acid Openeye Name: 3-chloro-5-methoxy-4-tetralin-6-ylsulfonyloxy-benzoic acid CAS Name: 3-chloro-5-methoxy-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyloxy)benzoic acid IUPAC Name: 3-chloro-5-methoxy-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyloxy)benzoic acid Traditional Name: 3-chloro-5-methoxy-4-tetralin-6-ylsulfonyloxy-benzoic acid Formula: C18H17ClO6S MolecularWeight: 396.84198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)O)Cl)OS(=O)(=O)C2=CC3=C(CCCC3)C=C2

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)O)Cl)OS(=O)(=O)C2=CC3=C(CCCC3)C=C2

InChI

InChI=1S/C18H17ClO6S/c1-24-16-10-13(18(20)21)9-15(19)17(16)25-26(22,23)14-7-6-11-4-2-3-5-12(11)8-14/h6-10H,2-5H2,1H3,(H,20,21)