3-methoxycarbonyl-5-propoxycarbonyl-benzenesulfonic acid

Systemtic Name: 3-methoxycarbonyl-5-propoxycarbonyl-benzenesulfonic acid Openeye Name: 3-methoxycarbonyl-5-propoxycarbonyl-benzenesulfonic acid CAS Name: 3-methoxycarbonyl-5-[oxo(propoxy)methyl]benzenesulfonic acid IUPAC Name: 3-methoxycarbonyl-5-propoxycarbonylbenzenesulfonic acid Traditional Name: 3-carbomethoxy-5-propoxycarbonyl-besylic acid Formula: C12H14O7S MolecularWeight: 302.30036

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC(=CC(=C1)C(=O)OC)S(=O)(=O)O

Isomeric SMILES

CCCOC(=O)C1=CC(=CC(=C1)C(=O)OC)S(=O)(=O)O

InChI

InChI=1S/C12H14O7S/c1-3-4-19-12(14)9-5-8(11(13)18-2)6-10(7-9)20(15,16)17/h5-7H,3-4H2,1-2H3,(H,15,16,17)