3-[(1S,2S,3S)-2,3-dimethyl-2-[(2-oxidanylidenechromen-7-yl)oxymethyl]-6-propan-2-ylidene-cyclohexyl]propanoate

Systemtic Name: 3-[(1S,2S,3S)-2,3-dimethyl-2-[(2-oxidanylidenechromen-7-yl)oxymethyl]-6-propan-2-ylidene-cyclohexyl]propanoate Openeye Name: 3-[(1S,2S,3S)-6-isopropylidene-2,3-dimethyl-2-[(2-oxochromen-7-yl)oxymethyl]cyclohexyl]propanoate CAS Name: 3-[(1S,2S,3S)-2,3-dimethyl-2-[(2-oxo-1-benzopyran-7-yl)oxymethyl]-6-propan-2-ylidenecyclohexyl]propanoate IUPAC Name: 3-[(1S,2S,3S)-2,3-dimethyl-2-[(2-oxochromen-7-yl)oxymethyl]-6-propan-2-ylidenecyclohexyl]propanoate Traditional Name: 3-[(1S,2S,3S)-6-isopropylidene-2-[(2-ketochromen-7-yl)oxymethyl]-2,3-dimethyl-cyclohexyl]propionate Formula: C24H29O5- MolecularWeight: 397.48406

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(=C(C)C)C(C1(C)COC2=CC3=C(C=C2)C=CC(=O)O3)CCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H30O5/c1-15(2)19-9-5-16(3)24(4,20(19)10-11-22(25)26)14-28-18-8-6-17-7-12-23(27)29-21(17)13-18/h6-8,12-13,16,20H,5,9-11,14H2,1-4H3,(H,25,26)/p-1/t16-,20-,24-/m0/s1