(E)-3-[4-[(3S,4S,5S,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[(3S,4S,5S,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxyphenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxyphenyl]acrylic acid Formula: C15H18O7 MolecularWeight: 310.29922

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2=CC=C(C=C2)C=CC(=O)O)O)O)O

Isomeric SMILES

C[C@@H]1[C@H]([C@@H]([C@@H](C(O1)OC2=CC=C(C=C2)/C=C/C(=O)O)O)O)O

InChI

InChI=1S/C15H18O7/c1-8-12(18)13(19)14(20)15(21-8)22-10-5-2-9(3-6-10)4-7-11(16)17/h2-8,12-15,18-20H,1H3,(H,16,17)/b7-4+/t8-,12-,13+,14+,15?/m1/s1