(E)-3-(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)-2-thiophen-2-yl-prop-2-enoic acid

Systemtic Name: (E)-3-(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)-2-thiophen-2-yl-prop-2-enoic acid Openeye Name: (E)-3-(3-chloro-5-ethoxy-4-hydroxy-phenyl)-2-(2-thienyl)prop-2-enoic acid CAS Name: (E)-3-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-thiophen-2-yl-2-propenoic acid IUPAC Name: (E)-3-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-thiophen-2-ylprop-2-enoic acid Traditional Name: (E)-3-(3-chloro-5-ethoxy-4-hydroxy-phenyl)-2-(2-thienyl)acrylic acid Formula: C15H13ClO4S MolecularWeight: 324.77932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C2=CC=CS2)C(=O)O)Cl)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(/C2=CC=CS2)\C(=O)O)Cl)O

InChI

InChI=1S/C15H13ClO4S/c1-2-20-12-8-9(7-11(16)14(12)17)6-10(15(18)19)13-4-3-5-21-13/h3-8,17H,2H2,1H3,(H,18,19)/b10-6-