methyl 1-acetyloxy-3-pentyl-6,6-bis(trideuteriomethyl)-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylate

Systemtic Name: methyl 1-acetyloxy-3-pentyl-6,6-bis(trideuteriomethyl)-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylate Openeye Name: methyl 1-acetoxy-3-pentyl-6,6-bis(trideuteriomethyl)-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylate CAS Name: 1-acetyloxy-3-pentyl-6,6-bis(trideuteriomethyl)-6a,7,8,10a-tetrahydrobenzo[c][1]benzopyran-9-carboxylic acid methyl ester IUPAC Name: methyl 1-acetyloxy-3-pentyl-6,6-bis(trideuteriomethyl)-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylate Traditional Name: 1-acetoxy-3-amyl-6,6-bis(trideuteriomethyl)-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid methyl ester Formula: C24H32O5 MolecularWeight: 406.544851

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C(=O)OC)C(=C1)OC(=O)C

Isomeric SMILES

[2H]C([2H])([2H])C1(C2CCC(=CC2C3=C(O1)C=C(C=C3OC(=O)C)CCCCC)C(=O)OC)C([2H])([2H])[2H]

InChI

InChI=1S/C24H32O5/c1-6-7-8-9-16-12-20(28-15(2)25)22-18-14-17(23(26)27-5)10-11-19(18)24(3,4)29-21(22)13-16/h12-14,18-19H,6-11H2,1-5H3/i3D3,4D3