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

Systemtic Name: (E)-3-[4-[3-(4-hydroxyphenyl)-7-oxidanyl-2H-thiochromen-4-yl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[7-hydroxy-3-(4-hydroxyphenyl)-2H-thiochromen-4-yl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[7-hydroxy-3-(4-hydroxyphenyl)-2H-1-benzothiopyran-4-yl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[7-hydroxy-3-(4-hydroxyphenyl)-2H-thiochromen-4-yl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[7-hydroxy-3-(4-hydroxyphenyl)-2H-thiochromen-4-yl]phenyl]acrylic acid Formula: C24H18O4S MolecularWeight: 402.46232

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(C2=C(S1)C=C(C=C2)O)C3=CC=C(C=C3)C=CC(=O)O)C4=CC=C(C=C4)O

Isomeric SMILES

C1C(=C(C2=C(S1)C=C(C=C2)O)C3=CC=C(C=C3)/C=C/C(=O)O)C4=CC=C(C=C4)O

InChI

InChI=1S/C24H18O4S/c25-18-8-6-16(7-9-18)21-14-29-22-13-19(26)10-11-20(22)24(21)17-4-1-15(2-5-17)3-12-23(27)28/h1-13,25-26H,14H2,(H,27,28)/b12-3+