methyl (3R,3aR)-3a-methyl-3-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-benzo[f]azulene-9-carboxylate

Systemtic Name: methyl (3R,3aR)-3a-methyl-3-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-benzo[f]azulene-9-carboxylate Openeye Name: methyl (3R,3aR)-3-isopropyl-3a-methyl-3,4,5,5a,6,7-hexahydro-2H-benzo[f]azulene-9-carboxylate CAS Name: (3R,3aR)-3a-methyl-3-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-benzo[f]azulene-9-carboxylic acid methyl ester IUPAC Name: methyl (3R,3aR)-3a-methyl-3-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-benzo[f]azulene-9-carboxylate Traditional Name: (3R,3aR)-3-isopropyl-3a-methyl-3,4,5,5a,6,7-hexahydro-2H-benz[f]azulene-9-carboxylic acid methyl ester Formula: C20H28O2 MolecularWeight: 300.43512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CC=C2C1(CCC3CCC=C(C3=C2)C(=O)OC)C

Isomeric SMILES

CC(C)[C@H]1CC=C2[C@@]1(CCC3CCC=C(C3=C2)C(=O)OC)C

InChI

InChI=1S/C20H28O2/c1-13(2)18-9-8-15-12-17-14(10-11-20(15,18)3)6-5-7-16(17)19(21)22-4/h7-8,12-14,18H,5-6,9-11H2,1-4H3/t14?,18-,20+/m1/s1