4-[(E)-3-oxidanylidenebut-1-enyl]benzenesulfinate

Systemtic Name: 4-[(E)-3-oxidanylidenebut-1-enyl]benzenesulfinate Openeye Name: 4-[(E)-3-oxobut-1-enyl]benzenesulfinate CAS Name: 4-[(E)-3-oxobut-1-enyl]benzenesulfinate IUPAC Name: 4-[(E)-3-oxobut-1-enyl]benzenesulfinate Traditional Name: 4-[(E)-3-ketobut-1-enyl]benzenesulfinate Formula: C10H9O3S- MolecularWeight: 209.24166

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1=CC=C(C=C1)S(=O)[O-]

Isomeric SMILES

CC(=O)/C=C/C1=CC=C(C=C1)S(=O)[O-]

InChI

InChI=1S/C10H10O3S/c1-8(11)2-3-9-4-6-10(7-5-9)14(12)13/h2-7H,1H3,(H,12,13)/p-1/b3-2+