methyl 1-acetyloxy-6,6-dimethyl-3-(2-methyloctan-2-yl)benzo[c]chromene-9-carboxylate

Systemtic Name: methyl 1-acetyloxy-6,6-dimethyl-3-(2-methyloctan-2-yl)benzo[c]chromene-9-carboxylate Openeye Name: methyl 1-acetoxy-3-(1,1-dimethylheptyl)-6,6-dimethyl-benzo[c]chromene-9-carboxylate CAS Name: 1-acetyloxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-9-benzo[c][1]benzopyrancarboxylic acid methyl ester IUPAC Name: methyl 1-acetyloxy-6,6-dimethyl-3-(2-methyloctan-2-yl)benzo[c]chromene-9-carboxylate Traditional Name: 1-acetoxy-3-(1,1-dimethylheptyl)-6,6-dimethyl-benzo[c]chromene-9-carboxylic acid methyl ester Formula: C28H36O5 MolecularWeight: 452.58244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC2=C(C(=C1)OC(=O)C)C3=C(C=CC(=C3)C(=O)OC)C(O2)(C)C

Isomeric SMILES

CCCCCCC(C)(C)C1=CC2=C(C(=C1)OC(=O)C)C3=C(C=CC(=C3)C(=O)OC)C(O2)(C)C

InChI

InChI=1S/C28H36O5/c1-8-9-10-11-14-27(3,4)20-16-23(32-18(2)29)25-21-15-19(26(30)31-7)12-13-22(21)28(5,6)33-24(25)17-20/h12-13,15-17H,8-11,14H2,1-7H3