3-chloranylsulfonyl-4-phenoxy-5-prop-2-enylsulfanyl-benzoic acid

Systemtic Name: 3-chloranylsulfonyl-4-phenoxy-5-prop-2-enylsulfanyl-benzoic acid Openeye Name: 3-allylsulfanyl-5-chlorosulfonyl-4-phenoxy-benzoic acid CAS Name: 3-chlorosulfonyl-4-phenoxy-5-(prop-2-enylthio)benzoic acid IUPAC Name: 3-chlorosulfonyl-4-phenoxy-5-prop-2-enylsulfanylbenzoic acid Traditional Name: 3-(allylthio)-5-chlorosulfonyl-4-phenoxy-benzoic acid Formula: C16H13ClO5S2 MolecularWeight: 384.85442

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)Cl)OC2=CC=CC=C2

Isomeric SMILES

C=CCSC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)Cl)OC2=CC=CC=C2

InChI

InChI=1S/C16H13ClO5S2/c1-2-8-23-13-9-11(16(18)19)10-14(24(17,20)21)15(13)22-12-6-4-3-5-7-12/h2-7,9-10H,1,8H2,(H,18,19)