3-[(E)-but-2-enyl]sulfanyl-5-chloranylsulfonyl-4-phenyl-benzoic acid

Systemtic Name: 3-[(E)-but-2-enyl]sulfanyl-5-chloranylsulfonyl-4-phenyl-benzoic acid Openeye Name: 3-[(E)-but-2-enyl]sulfanyl-5-chlorosulfonyl-4-phenyl-benzoic acid CAS Name: 3-[[(E)-but-2-enyl]thio]-5-chlorosulfonyl-4-phenylbenzoic acid IUPAC Name: 3-[(E)-but-2-enyl]sulfanyl-5-chlorosulfonyl-4-phenylbenzoic acid Traditional Name: 3-[[(E)-but-2-enyl]thio]-5-chlorosulfonyl-4-phenyl-benzoic acid Formula: C17H15ClO4S2 MolecularWeight: 382.8816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CCSC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)Cl)C2=CC=CC=C2

Isomeric SMILES

C/C=C/CSC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)Cl)C2=CC=CC=C2

InChI

InChI=1S/C17H15ClO4S2/c1-2-3-9-23-14-10-13(17(19)20)11-15(24(18,21)22)16(14)12-7-5-4-6-8-12/h2-8,10-11H,9H2,1H3,(H,19,20)/b3-2+