2-[(1S)-5,8-dimethoxy-1-methyl-3,4-dihydro-2H-anthracen-1-yl]ethyl 4-nitrobenzoate

Systemtic Name: 2-[(1S)-5,8-dimethoxy-1-methyl-3,4-dihydro-2H-anthracen-1-yl]ethyl 4-nitrobenzoate Openeye Name: 2-[(1S)-5,8-dimethoxy-1-methyl-3,4-dihydro-2H-anthracen-1-yl]ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-[(1S)-5,8-dimethoxy-1-methyl-3,4-dihydro-2H-anthracen-1-yl]ethyl ester IUPAC Name: 2-[(1S)-5,8-dimethoxy-1-methyl-3,4-dihydro-2H-anthracen-1-yl]ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-[(1S)-5,8-dimethoxy-1-methyl-3,4-dihydro-2H-anthracen-1-yl]ethyl ester Formula: C26H27NO6 MolecularWeight: 449.49568

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC2=CC3=C(C=CC(=C3C=C21)OC)OC)CCOC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C[C@]1(CCCC2=CC3=C(C=CC(=C3C=C21)OC)OC)CCOC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H27NO6/c1-26(13-14-33-25(28)17-6-8-19(9-7-17)27(29)30)12-4-5-18-15-20-21(16-22(18)26)24(32-3)11-10-23(20)31-2/h6-11,15-16H,4-5,12-14H2,1-3H3/t26-/m0/s1