5-propan-2-ylsulfonyl-2-propoxy-benzoic acid

Systemtic Name: 5-propan-2-ylsulfonyl-2-propoxy-benzoic acid Openeye Name: 5-isopropylsulfonyl-2-propoxy-benzoic acid CAS Name: 5-propan-2-ylsulfonyl-2-propoxybenzoic acid IUPAC Name: 5-propan-2-ylsulfonyl-2-propoxybenzoic acid Traditional Name: 5-isopropylsulfonyl-2-propoxy-benzoic acid Formula: C13H18O5S MolecularWeight: 286.34402

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)C(C)C)C(=O)O

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)C(C)C)C(=O)O

InChI

InChI=1S/C13H18O5S/c1-4-7-18-12-6-5-10(8-11(12)13(14)15)19(16,17)9(2)3/h5-6,8-9H,4,7H2,1-3H3,(H,14,15)