[6,8a-dimethyl-3,8-bis(oxidanyl)-1-oxidanylidene-3-propan-2-yl-3a,4,5,8-tetrahydro-2H-azulen-4-yl] 3-methoxy-4-oxidanyl-benzoate

Systemtic Name: [6,8a-dimethyl-3,8-bis(oxidanyl)-1-oxidanylidene-3-propan-2-yl-3a,4,5,8-tetrahydro-2H-azulen-4-yl] 3-methoxy-4-oxidanyl-benzoate Openeye Name: (3,8-dihydroxy-3-isopropyl-6,8a-dimethyl-1-oxo-3a,4,5,8-tetrahydro-2H-azulen-4-yl) 4-hydroxy-3-methoxy-benzoate CAS Name: 4-hydroxy-3-methoxybenzoic acid (3,8-dihydroxy-6,8a-dimethyl-1-oxo-3-propan-2-yl-3a,4,5,8-tetrahydro-2H-azulen-4-yl) ester IUPAC Name: (3,8-dihydroxy-6,8a-dimethyl-1-oxo-3-propan-2-yl-3a,4,5,8-tetrahydro-2H-azulen-4-yl) 4-hydroxy-3-methoxybenzoate Traditional Name: 4-hydroxy-3-methoxy-benzoic acid (3,8-dihydroxy-3-isopropyl-1-keto-6,8a-dimethyl-3a,4,5,8-tetrahydro-2H-azulen-4-yl) ester Formula: C23H30O7 MolecularWeight: 418.4801

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C2(C(C(C1)OC(=O)C3=CC(=C(C=C3)O)OC)C(CC2=O)(C(C)C)O)C)O

Isomeric SMILES

CC1=CC(C2(C(C(C1)OC(=O)C3=CC(=C(C=C3)O)OC)C(CC2=O)(C(C)C)O)C)O

InChI

InChI=1S/C23H30O7/c1-12(2)23(28)11-19(26)22(4)18(25)9-13(3)8-17(20(22)23)30-21(27)14-6-7-15(24)16(10-14)29-5/h6-7,9-10,12,17-18,20,24-25,28H,8,11H2,1-5H3