(E)-3-[4-(9a-butyl-7-oxidanyl-3-oxidanylidene-2,9-dihydro-1H-fluoren-4-yl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(9a-butyl-7-oxidanyl-3-oxidanylidene-2,9-dihydro-1H-fluoren-4-yl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(9a-butyl-7-hydroxy-3-oxo-2,9-dihydro-1H-fluoren-4-yl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(9a-butyl-7-hydroxy-3-oxo-2,9-dihydro-1H-fluoren-4-yl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(9a-butyl-7-hydroxy-3-oxo-2,9-dihydro-1H-fluoren-4-yl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(9a-butyl-7-hydroxy-3-keto-2,9-dihydro-1H-fluoren-4-yl)phenyl]acrylic acid Formula: C26H26O4 MolecularWeight: 402.48224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC12CCC(=O)C(=C1C3=C(C2)C=C(C=C3)O)C4=CC=C(C=C4)C=CC(=O)O

Isomeric SMILES

CCCCC12CCC(=O)C(=C1C3=C(C2)C=C(C=C3)O)C4=CC=C(C=C4)/C=C/C(=O)O

InChI

InChI=1S/C26H26O4/c1-2-3-13-26-14-12-22(28)24(18-7-4-17(5-8-18)6-11-23(29)30)25(26)21-10-9-20(27)15-19(21)16-26/h4-11,15,27H,2-3,12-14,16H2,1H3,(H,29,30)/b11-6+