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

Systemtic Name: (E)-3-[4-(9a-butyl-7-methoxy-3-oxidanylidene-2,9-dihydro-1H-fluoren-4-yl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(9a-butyl-7-methoxy-3-oxo-2,9-dihydro-1H-fluoren-4-yl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(9a-butyl-7-methoxy-3-oxo-2,9-dihydro-1H-fluoren-4-yl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(9a-butyl-7-methoxy-3-oxo-2,9-dihydro-1H-fluoren-4-yl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(9a-butyl-3-keto-7-methoxy-2,9-dihydro-1H-fluoren-4-yl)phenyl]acrylic acid Formula: C27H28O4 MolecularWeight: 416.50882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28O4/c1-3-4-14-27-15-13-23(28)25(19-8-5-18(6-9-19)7-12-24(29)30)26(27)22-11-10-21(31-2)16-20(22)17-27/h5-12,16H,3-4,13-15,17H2,1-2H3,(H,29,30)/b12-7+