4-(methoxymethyl)-3-propyl-benzenesulfonic acid

Systemtic Name: 4-(methoxymethyl)-3-propyl-benzenesulfonic acid Openeye Name: 4-(methoxymethyl)-3-propyl-benzenesulfonic acid CAS Name: 4-(methoxymethyl)-3-propylbenzenesulfonic acid IUPAC Name: 4-(methoxymethyl)-3-propylbenzenesulfonic acid Traditional Name: 4-(methoxymethyl)-3-propyl-besylic acid Formula: C11H16O4S MolecularWeight: 244.30734

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)S(=O)(=O)O)COC

Isomeric SMILES

CCCC1=C(C=CC(=C1)S(=O)(=O)O)COC

InChI

InChI=1S/C11H16O4S/c1-3-4-9-7-11(16(12,13)14)6-5-10(9)8-15-2/h5-7H,3-4,8H2,1-2H3,(H,12,13,14)