2-[(E)-3-(4-chlorophenyl)prop-2-enyl]sulfonyl-8-thiophen-2-yl-octanoic acid

Systemtic Name: 2-[(E)-3-(4-chlorophenyl)prop-2-enyl]sulfonyl-8-thiophen-2-yl-octanoic acid Openeye Name: 2-[(E)-3-(4-chlorophenyl)allyl]sulfonyl-8-(2-thienyl)octanoic acid CAS Name: 2-[(E)-3-(4-chlorophenyl)prop-2-enyl]sulfonyl-8-thiophen-2-yloctanoic acid IUPAC Name: 2-[(E)-3-(4-chlorophenyl)prop-2-enyl]sulfonyl-8-thiophen-2-yloctanoic acid Traditional Name: 2-[(E)-3-(4-chlorophenyl)allyl]sulfonyl-8-(2-thienyl)caprylic acid Formula: C21H25ClO4S2 MolecularWeight: 441.0038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCCCCCC(C(=O)O)S(=O)(=O)CC=CC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CSC(=C1)CCCCCCC(C(=O)O)S(=O)(=O)C/C=C/C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H25ClO4S2/c22-18-13-11-17(12-14-18)7-6-16-28(25,26)20(21(23)24)10-4-2-1-3-8-19-9-5-15-27-19/h5-7,9,11-15,20H,1-4,8,10,16H2,(H,23,24)/b7-6+