4-(6-bromanylnaphthalen-2-yl)sulfonyl-2-methoxycarbonyl-benzoic acid

Systemtic Name: 4-(6-bromanylnaphthalen-2-yl)sulfonyl-2-methoxycarbonyl-benzoic acid Openeye Name: 4-[(6-bromo-2-naphthyl)sulfonyl]-2-methoxycarbonyl-benzoic acid CAS Name: 4-[(6-bromo-2-naphthalenyl)sulfonyl]-2-methoxycarbonylbenzoic acid IUPAC Name: 4-(6-bromonaphthalen-2-yl)sulfonyl-2-methoxycarbonylbenzoic acid Traditional Name: 4-[(6-bromo-2-naphthyl)sulfonyl]-2-carbomethoxy-benzoic acid Formula: C19H13BrO6S MolecularWeight: 449.27192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Br)C(=O)O

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C19H13BrO6S/c1-26-19(23)17-10-15(6-7-16(17)18(21)22)27(24,25)14-5-3-11-8-13(20)4-2-12(11)9-14/h2-10H,1H3,(H,21,22)