(E)-3-(3-chloranyl-4-hexoxy-5-methoxy-phenyl)-2-thiophen-2-yl-prop-2-enoic acid

Systemtic Name: (E)-3-(3-chloranyl-4-hexoxy-5-methoxy-phenyl)-2-thiophen-2-yl-prop-2-enoic acid Openeye Name: (E)-3-(3-chloro-4-hexoxy-5-methoxy-phenyl)-2-(2-thienyl)prop-2-enoic acid CAS Name: (E)-3-(3-chloro-4-hexoxy-5-methoxyphenyl)-2-thiophen-2-yl-2-propenoic acid IUPAC Name: (E)-3-(3-chloro-4-hexoxy-5-methoxyphenyl)-2-thiophen-2-ylprop-2-enoic acid Traditional Name: (E)-3-(3-chloro-4-hexoxy-5-methoxy-phenyl)-2-(2-thienyl)acrylic acid Formula: C20H23ClO4S MolecularWeight: 394.91222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1Cl)C=C(C2=CC=CS2)C(=O)O)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1Cl)/C=C(/C2=CC=CS2)\C(=O)O)OC

InChI

InChI=1S/C20H23ClO4S/c1-3-4-5-6-9-25-19-16(21)12-14(13-17(19)24-2)11-15(20(22)23)18-8-7-10-26-18/h7-8,10-13H,3-6,9H2,1-2H3,(H,22,23)/b15-11-