(E)-3-[3,4,5-tris(oxidanyl)-6-oxidanylidene-8-[(2R,3R)-3,5,7-tris(oxidanyl)-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-1-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[3,4,5-tris(oxidanyl)-6-oxidanylidene-8-[(2R,3R)-3,5,7-tris(oxidanyl)-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-1-yl]prop-2-enoic acid Openeye Name: (E)-3-[3,4,5-trihydroxy-6-oxo-8-[(2R,3R)-3,5,7-trihydroxychroman-2-yl]benzo[7]annulen-1-yl]prop-2-enoic acid CAS Name: (E)-3-[3,4,5-trihydroxy-6-oxo-8-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-1-benzo[7]annulenyl]-2-propenoic acid IUPAC Name: (E)-3-[3,4,5-trihydroxy-6-oxo-8-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-1-yl]prop-2-enoic acid Traditional Name: (E)-3-[3,4,5-trihydroxy-6-keto-8-[(2R,3R)-3,5,7-trihydroxychroman-2-yl]benzocyclohepten-1-yl]acrylic acid Formula: C23H18O10 MolecularWeight: 454.38302

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=O)C(=C4C(=C3)C(=CC(=C4O)O)C=CC(=O)O)O)O

Isomeric SMILES

C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=O)C(=C4C(=C3)C(=CC(=C4O)O)/C=C/C(=O)O)O)O

InChI

InChI=1S/C23H18O10/c24-11-6-14(25)13-8-17(28)23(33-18(13)7-11)10-3-12-9(1-2-19(29)30)4-15(26)21(31)20(12)22(32)16(27)5-10/h1-7,17,23-26,28,31H,8H2,(H,27,32)(H,29,30)/b2-1+/t17-,23-/m1/s1