3-chloranylsulfonyl-5-methyl-4-(phenylmethyl)benzenecarbothioic S-acid

Systemtic Name: 3-chloranylsulfonyl-5-methyl-4-(phenylmethyl)benzenecarbothioic S-acid Openeye Name: 4-benzyl-3-chlorosulfonyl-5-methyl-benzenecarbothioic S-acid CAS Name: 3-chlorosulfonyl-5-methyl-4-(phenylmethyl)benzenecarbothioic S-acid IUPAC Name: 4-benzyl-3-chlorosulfonyl-5-methylbenzenecarbothioic S-acid Traditional Name: 4-benzyl-3-chlorosulfonyl-5-methyl-thiobenzoic acid Formula: C15H13ClO3S2 MolecularWeight: 340.84492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)S)S(=O)(=O)Cl)CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)S)S(=O)(=O)Cl)CC2=CC=CC=C2

InChI

InChI=1S/C15H13ClO3S2/c1-10-7-12(15(17)20)9-14(21(16,18)19)13(10)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3,(H,17,20)