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

Systemtic Name: 3-chloranylsulfonyl-4-(phenylmethyl)-5-propyl-benzenecarbothioic S-acid Openeye Name: 4-benzyl-3-chlorosulfonyl-5-propyl-benzenecarbothioic S-acid CAS Name: 3-chlorosulfonyl-4-(phenylmethyl)-5-propylbenzenecarbothioic S-acid IUPAC Name: 4-benzyl-3-chlorosulfonyl-5-propylbenzenecarbothioic S-acid Traditional Name: 4-benzyl-3-chlorosulfonyl-5-propyl-thiobenzoic acid Formula: C17H17ClO3S2 MolecularWeight: 368.89808

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1)C(=O)S)S(=O)(=O)Cl)CC2=CC=CC=C2

Isomeric SMILES

CCCC1=C(C(=CC(=C1)C(=O)S)S(=O)(=O)Cl)CC2=CC=CC=C2

InChI

InChI=1S/C17H17ClO3S2/c1-2-6-13-10-14(17(19)22)11-16(23(18,20)21)15(13)9-12-7-4-3-5-8-12/h3-5,7-8,10-11H,2,6,9H2,1H3,(H,19,22)