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

Systemtic Name: 3-chloranylsulfonyl-4-(phenylcarbonyl)-5-propoxy-benzoic acid Openeye Name: 4-benzoyl-3-chlorosulfonyl-5-propoxy-benzoic acid CAS Name: 4-benzoyl-3-chlorosulfonyl-5-propoxybenzoic acid IUPAC Name: 4-benzoyl-3-chlorosulfonyl-5-propoxybenzoic acid Traditional Name: 4-benzoyl-3-chlorosulfonyl-5-propoxy-benzoic acid Formula: C17H15ClO6S MolecularWeight: 382.8154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClO6S/c1-2-8-24-13-9-12(17(20)21)10-14(25(18,22)23)15(13)16(19)11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3,(H,20,21)