[(4S,8aR)-6,8a-dimethyl-3-propan-2-yl-2,4,5,8-tetrahydro-1H-azulen-4-yl] 4-oxidanylbenzoate

Systemtic Name: [(4S,8aR)-6,8a-dimethyl-3-propan-2-yl-2,4,5,8-tetrahydro-1H-azulen-4-yl] 4-oxidanylbenzoate Openeye Name: [(4S,8aR)-3-isopropyl-6,8a-dimethyl-2,4,5,8-tetrahydro-1H-azulen-4-yl] 4-hydroxybenzoate CAS Name: 4-hydroxybenzoic acid [(4S,8aR)-6,8a-dimethyl-3-propan-2-yl-2,4,5,8-tetrahydro-1H-azulen-4-yl] ester IUPAC Name: [(4S,8aR)-6,8a-dimethyl-3-propan-2-yl-2,4,5,8-tetrahydro-1H-azulen-4-yl] 4-hydroxybenzoate Traditional Name: 4-hydroxybenzoic acid [(4S,8aR)-3-isopropyl-6,8a-dimethyl-2,4,5,8-tetrahydro-1H-azulen-4-yl] ester Formula: C22H28O3 MolecularWeight: 340.45592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC2(CCC(=C2C(C1)OC(=O)C3=CC=C(C=C3)O)C(C)C)C

Isomeric SMILES

CC1=CC[C@]2(CCC(=C2[C@H](C1)OC(=O)C3=CC=C(C=C3)O)C(C)C)C

InChI

InChI=1S/C22H28O3/c1-14(2)18-10-12-22(4)11-9-15(3)13-19(20(18)22)25-21(24)16-5-7-17(23)8-6-16/h5-9,14,19,23H,10-13H2,1-4H3/t19-,22-/m0/s1