3-chloranylsulfonyl-5-ethoxy-4-(phenylmethyl)benzoic acid

Systemtic Name: 3-chloranylsulfonyl-5-ethoxy-4-(phenylmethyl)benzoic acid Openeye Name: 4-benzyl-3-chlorosulfonyl-5-ethoxy-benzoic acid CAS Name: 3-chlorosulfonyl-5-ethoxy-4-(phenylmethyl)benzoic acid IUPAC Name: 4-benzyl-3-chlorosulfonyl-5-ethoxybenzoic acid Traditional Name: 4-benzyl-3-chlorosulfonyl-5-ethoxy-benzoic acid Formula: C16H15ClO5S MolecularWeight: 354.8053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)Cl)CC2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)Cl)CC2=CC=CC=C2

InChI

InChI=1S/C16H15ClO5S/c1-2-22-14-9-12(16(18)19)10-15(23(17,20)21)13(14)8-11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3,(H,18,19)