3-chloranylsulfonyl-4-(phenylmethyl)-5-propoxy-benzoic acid

Systemtic Name: 3-chloranylsulfonyl-4-(phenylmethyl)-5-propoxy-benzoic acid Openeye Name: 4-benzyl-3-chlorosulfonyl-5-propoxy-benzoic acid CAS Name: 3-chlorosulfonyl-4-(phenylmethyl)-5-propoxybenzoic acid IUPAC Name: 4-benzyl-3-chlorosulfonyl-5-propoxybenzoic acid Traditional Name: 4-benzyl-3-chlorosulfonyl-5-propoxy-benzoic acid Formula: C17H17ClO5S MolecularWeight: 368.83188

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)Cl)CC2=CC=CC=C2

Isomeric SMILES

CCCOC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)Cl)CC2=CC=CC=C2

InChI

InChI=1S/C17H17ClO5S/c1-2-8-23-15-10-13(17(19)20)11-16(24(18,21)22)14(15)9-12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3,(H,19,20)