[6,9-dimethyl-3-(3-methyloctan-2-yl)-6,7,8,9-tetrahydro-5H-xanthen-1-yl] butanoate

Systemtic Name: [6,9-dimethyl-3-(3-methyloctan-2-yl)-6,7,8,9-tetrahydro-5H-xanthen-1-yl] butanoate Openeye Name: [3-(1,2-dimethylheptyl)-6,9-dimethyl-6,7,8,9-tetrahydro-5H-xanthen-1-yl] butanoate CAS Name: butanoic acid [6,9-dimethyl-3-(3-methyloctan-2-yl)-6,7,8,9-tetrahydro-5H-xanthen-1-yl] ester IUPAC Name: [6,9-dimethyl-3-(3-methyloctan-2-yl)-6,7,8,9-tetrahydro-5H-xanthen-1-yl] butanoate Traditional Name: butyric acid [3-(1,2-dimethylheptyl)-6,9-dimethyl-6,7,8,9-tetrahydro-5H-xanthen-1-yl] ester Formula: C28H42O3 MolecularWeight: 426.63128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C(C)C1=CC2=C(C(C3=C(O2)CC(CC3)C)C)C(=C1)OC(=O)CCC

Isomeric SMILES

CCCCCC(C)C(C)C1=CC2=C(C(C3=C(O2)CC(CC3)C)C)C(=C1)OC(=O)CCC

InChI

InChI=1S/C28H42O3/c1-7-9-10-12-19(4)20(5)22-16-25-28(26(17-22)31-27(29)11-8-2)21(6)23-14-13-18(3)15-24(23)30-25/h16-21H,7-15H2,1-6H3