4-pentoxycarbonylbenzenesulfonic acid

Systemtic Name: 4-pentoxycarbonylbenzenesulfonic acid Openeye Name: 4-pentoxycarbonylbenzenesulfonic acid CAS Name: 4-[oxo(pentoxy)methyl]benzenesulfonic acid IUPAC Name: 4-pentoxycarbonylbenzenesulfonic acid Traditional Name: 4-amoxycarbonylbesylic acid Formula: C12H16O5S MolecularWeight: 272.31744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C12H16O5S/c1-2-3-4-9-17-12(13)10-5-7-11(8-6-10)18(14,15)16/h5-8H,2-4,9H2,1H3,(H,14,15,16)