2-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]benzenesulfonic acid

Systemtic Name: 2-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]benzenesulfonic acid Openeye Name: 2-[(E)-3-methoxy-3-oxo-prop-1-enyl]benzenesulfonic acid CAS Name: 2-[(E)-3-methoxy-3-oxoprop-1-enyl]benzenesulfonic acid IUPAC Name: 2-[(E)-3-methoxy-3-oxoprop-1-enyl]benzenesulfonic acid Traditional Name: 2-[(E)-3-keto-3-methoxy-prop-1-enyl]besylic acid Formula: C10H10O5S MolecularWeight: 242.2484

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=CC=CC=C1S(=O)(=O)O

Isomeric SMILES

COC(=O)/C=C/C1=CC=CC=C1S(=O)(=O)O

InChI

InChI=1S/C10H10O5S/c1-15-10(11)7-6-8-4-2-3-5-9(8)16(12,13)14/h2-7H,1H3,(H,12,13,14)/b7-6+