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

Systemtic Name: [6,9-dimethyl-3-(3-methyloctan-2-yl)-6,7,8,9-tetrahydro-5H-xanthen-1-yl] pentanoate Openeye Name: [3-(1,2-dimethylheptyl)-6,9-dimethyl-6,7,8,9-tetrahydro-5H-xanthen-1-yl] pentanoate CAS Name: pentanoic 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] pentanoate Traditional Name: valeric acid [3-(1,2-dimethylheptyl)-6,9-dimethyl-6,7,8,9-tetrahydro-5H-xanthen-1-yl] ester Formula: C29H44O3 MolecularWeight: 440.65786

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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)CCCC

Isomeric SMILES

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

InChI

InChI=1S/C29H44O3/c1-7-9-11-12-20(4)21(5)23-17-26-29(27(18-23)32-28(30)13-10-8-2)22(6)24-15-14-19(3)16-25(24)31-26/h17-22H,7-16H2,1-6H3