3-chloranylsulfonyl-4-(phenylcarbonyl)-5-prop-2-enylsulfanyl-benzoic acid

Systemtic Name: 3-chloranylsulfonyl-4-(phenylcarbonyl)-5-prop-2-enylsulfanyl-benzoic acid Openeye Name: 3-allylsulfanyl-4-benzoyl-5-chlorosulfonyl-benzoic acid CAS Name: 4-benzoyl-3-chlorosulfonyl-5-(prop-2-enylthio)benzoic acid IUPAC Name: 4-benzoyl-3-chlorosulfonyl-5-prop-2-enylsulfanylbenzoic acid Traditional Name: 3-(allylthio)-4-benzoyl-5-chlorosulfonyl-benzoic acid Formula: C17H13ClO5S2 MolecularWeight: 396.86512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClO5S2/c1-2-8-24-13-9-12(17(20)21)10-14(25(18,22)23)15(13)16(19)11-6-4-3-5-7-11/h2-7,9-10H,1,8H2,(H,20,21)