(E)-3-[4-[3-(4-hydroxyphenyl)-7-oxidanyl-8aH-thiochromen-4-yl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[3-(4-hydroxyphenyl)-7-oxidanyl-8aH-thiochromen-4-yl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[7-hydroxy-3-(4-hydroxyphenyl)-8aH-thiochromen-4-yl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[7-hydroxy-3-(4-hydroxyphenyl)-8aH-1-benzothiopyran-4-yl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[7-hydroxy-3-(4-hydroxyphenyl)-8aH-thiochromen-4-yl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[7-hydroxy-3-(4-hydroxyphenyl)-8aH-thiochromen-4-yl]phenyl]acrylic acid Formula: C24H18O4S MolecularWeight: 402.46232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)O)C2=C3C=CC(=CC3SC=C2C4=CC=C(C=C4)O)O

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)O)C2=C3C=CC(=CC3SC=C2C4=CC=C(C=C4)O)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/h1-14,22,25-26H,(H,27,28)/b12-3+