3-[(1S,2S,6S)-1-methyl-2-[(2-oxidanylidenechromen-7-yl)oxymethyl]-6-prop-1-en-2-yl-cyclohex-3-en-1-yl]propanoic acid

Systemtic Name: 3-[(1S,2S,6S)-1-methyl-2-[(2-oxidanylidenechromen-7-yl)oxymethyl]-6-prop-1-en-2-yl-cyclohex-3-en-1-yl]propanoic acid Openeye Name: 3-[(1S,2S,6S)-6-isopropenyl-1-methyl-2-[(2-oxochromen-7-yl)oxymethyl]cyclohex-3-en-1-yl]propanoic acid CAS Name: 3-[(1S,2S,6S)-1-methyl-6-(1-methylethenyl)-2-[(2-oxo-1-benzopyran-7-yl)oxymethyl]-1-cyclohex-3-enyl]propanoic acid IUPAC Name: 3-[(1S,2S,6S)-1-methyl-2-[(2-oxochromen-7-yl)oxymethyl]-6-prop-1-en-2-ylcyclohex-3-en-1-yl]propanoic acid Traditional Name: 3-[(1S,2S,6S)-6-isopropenyl-2-[(2-ketochromen-7-yl)oxymethyl]-1-methyl-cyclohex-3-en-1-yl]propionic acid Formula: C23H26O5 MolecularWeight: 382.44954

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CC=CC(C1(C)CCC(=O)O)COC2=CC3=C(C=C2)C=CC(=O)O3

Isomeric SMILES

CC(=C)[C@@H]1CC=C[C@@H]([C@@]1(C)CCC(=O)O)COC2=CC3=C(C=C2)C=CC(=O)O3

InChI

InChI=1S/C23H26O5/c1-15(2)19-6-4-5-17(23(19,3)12-11-21(24)25)14-27-18-9-7-16-8-10-22(26)28-20(16)13-18/h4-5,7-10,13,17,19H,1,6,11-12,14H2,2-3H3,(H,24,25)/t17-,19+,23-/m1/s1