(E)-3-[3-[7-methoxy-3-(4-methoxyphenyl)-2H-thiochromen-4-yl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-[7-methoxy-3-(4-methoxyphenyl)-2H-thiochromen-4-yl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-[7-methoxy-3-(4-methoxyphenyl)-2H-thiochromen-4-yl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-[7-methoxy-3-(4-methoxyphenyl)-2H-1-benzothiopyran-4-yl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-[7-methoxy-3-(4-methoxyphenyl)-2H-thiochromen-4-yl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-[7-methoxy-3-(4-methoxyphenyl)-2H-thiochromen-4-yl]phenyl]acrylic acid Formula: C26H22O4S MolecularWeight: 430.51548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C3=C(C=C(C=C3)OC)SC2)C4=CC(=CC=C4)C=CC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C3=C(C=C(C=C3)OC)SC2)C4=CC(=CC=C4)/C=C/C(=O)O

InChI

InChI=1S/C26H22O4S/c1-29-20-9-7-18(8-10-20)23-16-31-24-15-21(30-2)11-12-22(24)26(23)19-5-3-4-17(14-19)6-13-25(27)28/h3-15H,16H2,1-2H3,(H,27,28)/b13-6+