2-(1-benzothiophen-3-ylmethylsulfonyl)-4,4-dimethyl-pentanoic acid

Systemtic Name: 2-(1-benzothiophen-3-ylmethylsulfonyl)-4,4-dimethyl-pentanoic acid Openeye Name: 2-(benzothiophen-3-ylmethylsulfonyl)-4,4-dimethyl-pentanoic acid CAS Name: 2-(1-benzothiophen-3-ylmethylsulfonyl)-4,4-dimethylpentanoic acid IUPAC Name: 2-(1-benzothiophen-3-ylmethylsulfonyl)-4,4-dimethylpentanoic acid Traditional Name: 2-(benzothiophen-3-ylmethylsulfonyl)-4,4-dimethyl-valeric acid Formula: C16H20O4S2 MolecularWeight: 340.4576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C(=O)O)S(=O)(=O)CC1=CSC2=CC=CC=C21

Isomeric SMILES

CC(C)(C)CC(C(=O)O)S(=O)(=O)CC1=CSC2=CC=CC=C21

InChI

InChI=1S/C16H20O4S2/c1-16(2,3)8-14(15(17)18)22(19,20)10-11-9-21-13-7-5-4-6-12(11)13/h4-7,9,14H,8,10H2,1-3H3,(H,17,18)