2-chloranyl-4-ethylsulfonyl-3-[(2E)-2-prop-2-enoxyiminopropoxy]benzoic acid

Systemtic Name: 2-chloranyl-4-ethylsulfonyl-3-[(2E)-2-prop-2-enoxyiminopropoxy]benzoic acid Openeye Name: 3-[(2E)-2-allyloxyiminopropoxy]-2-chloro-4-ethylsulfonyl-benzoic acid CAS Name: 2-chloro-4-ethylsulfonyl-3-[(2E)-2-prop-2-enoxyiminopropoxy]benzoic acid IUPAC Name: 2-chloro-4-ethylsulfonyl-3-[(2E)-2-prop-2-enoxyiminopropoxy]benzoic acid Traditional Name: 3-[(2E)-2-allyloximinopropoxy]-2-chloro-4-esyl-benzoic acid Formula: C15H18ClNO6S MolecularWeight: 375.82452

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=C(C(=C(C=C1)C(=O)O)Cl)OCC(=NOCC=C)C

Isomeric SMILES

CCS(=O)(=O)C1=C(C(=C(C=C1)C(=O)O)Cl)OC/C(=N/OCC=C)/C

InChI

InChI=1S/C15H18ClNO6S/c1-4-8-23-17-10(3)9-22-14-12(24(20,21)5-2)7-6-11(13(14)16)15(18)19/h4,6-7H,1,5,8-9H2,2-3H3,(H,18,19)/b17-10+