2-[2,5-bis(chloranyl)-4-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-prop-1-enyl]phenyl]sulfanylethanoic acid

Systemtic Name: 2-[2,5-bis(chloranyl)-4-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-prop-1-enyl]phenyl]sulfanylethanoic acid Openeye Name: 2-[4-[(E)-3-tert-butoxy-3-oxo-prop-1-enyl]-2,5-dichloro-phenyl]sulfanylacetic acid CAS Name: 2-[[2,5-dichloro-4-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]thio]acetic acid IUPAC Name: 2-[2,5-dichloro-4-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]sulfanylacetic acid Traditional Name: 2-[[4-[(E)-3-tert-butoxy-3-keto-prop-1-enyl]-2,5-dichloro-phenyl]thio]acetic acid Formula: C15H16Cl2O4S MolecularWeight: 363.25614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C=CC1=CC(=C(C=C1Cl)SCC(=O)O)Cl

Isomeric SMILES

CC(C)(C)OC(=O)/C=C/C1=CC(=C(C=C1Cl)SCC(=O)O)Cl

InChI

InChI=1S/C15H16Cl2O4S/c1-15(2,3)21-14(20)5-4-9-6-11(17)12(7-10(9)16)22-8-13(18)19/h4-7H,8H2,1-3H3,(H,18,19)/b5-4+