9-(4-azanylbutyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione

Systemtic Name: 9-(4-azanylbutyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Openeye Name: 9-(4-aminobutyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione CAS Name: 9-(4-aminobutyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(4-aminobutyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Traditional Name: 9-(4-aminobutyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-quinone Formula: C21H31NO3 MolecularWeight: 345.47574

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)CCCCN)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)CCCCN)C(=O)C1)C

InChI

InChI=1S/C21H31NO3/c1-20(2)9-14(23)18-13(7-5-6-8-22)19-15(24)10-21(3,4)12-17(19)25-16(18)11-20/h13H,5-12,22H2,1-4H3