7-(4-methylphenyl)-2-thiophen-2-ylsulfonyl-heptanoic acid

Systemtic Name: 7-(4-methylphenyl)-2-thiophen-2-ylsulfonyl-heptanoic acid Openeye Name: 7-(p-tolyl)-2-(2-thienylsulfonyl)heptanoic acid CAS Name: 7-(4-methylphenyl)-2-thiophen-2-ylsulfonylheptanoic acid IUPAC Name: 7-(4-methylphenyl)-2-thiophen-2-ylsulfonylheptanoic acid Traditional Name: 7-(p-tolyl)-2-(2-thienylsulfonyl)enanthic acid Formula: C18H22O4S2 MolecularWeight: 366.49488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCCCCC(C(=O)O)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

CC1=CC=C(C=C1)CCCCCC(C(=O)O)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C18H22O4S2/c1-14-9-11-15(12-10-14)6-3-2-4-7-16(18(19)20)24(21,22)17-8-5-13-23-17/h5,8-13,16H,2-4,6-7H2,1H3,(H,19,20)