3-chloranylsulfonyl-5-(3-methylbutyl)-4-(phenylcarbonyl)benzenecarbothioic S-acid

Systemtic Name: 3-chloranylsulfonyl-5-(3-methylbutyl)-4-(phenylcarbonyl)benzenecarbothioic S-acid Openeye Name: 4-benzoyl-3-chlorosulfonyl-5-isopentyl-benzenecarbothioic S-acid CAS Name: 4-benzoyl-3-chlorosulfonyl-5-(3-methylbutyl)benzenecarbothioic S-acid IUPAC Name: 4-benzoyl-3-chlorosulfonyl-5-(3-methylbutyl)benzenecarbothioic S-acid Traditional Name: 4-benzoyl-3-chlorosulfonyl-5-isoamyl-thiobenzoic acid Formula: C19H19ClO4S2 MolecularWeight: 410.93476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(C(=CC(=C1)C(=O)S)S(=O)(=O)Cl)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)CCC1=C(C(=CC(=C1)C(=O)S)S(=O)(=O)Cl)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H19ClO4S2/c1-12(2)8-9-14-10-15(19(22)25)11-16(26(20,23)24)17(14)18(21)13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3,(H,22,25)