[(2R,3S,5R)-3-(4-methylphenyl)carbonyloxy-5-phenanthren-1-yl-oxolan-2-yl]methyl 4-methylbenzoate

Systemtic Name: [(2R,3S,5R)-3-(4-methylphenyl)carbonyloxy-5-phenanthren-1-yl-oxolan-2-yl]methyl 4-methylbenzoate Openeye Name: [(2R,3S,5R)-3-(4-methylbenzoyl)oxy-5-(1-phenanthryl)tetrahydrofuran-2-yl]methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(2R,3S,5R)-3-[(4-methylphenyl)-oxomethoxy]-5-(1-phenanthrenyl)-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,5R)-3-(4-methylbenzoyl)oxy-5-phenanthren-1-yloxolan-2-yl]methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(2R,3S,5R)-5-(1-phenanthryl)-3-p-toluoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C35H30O5 MolecularWeight: 530.6097

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC2C(CC(O2)C3=CC=CC4=C3C=CC5=CC=CC=C54)OC(=O)C6=CC=C(C=C6)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](C[C@@H](O2)C3=CC=CC4=C3C=CC5=CC=CC=C54)OC(=O)C6=CC=C(C=C6)C

InChI

InChI=1S/C35H30O5/c1-22-10-14-25(15-11-22)34(36)38-21-33-32(40-35(37)26-16-12-23(2)13-17-26)20-31(39-33)30-9-5-8-28-27-7-4-3-6-24(27)18-19-29(28)30/h3-19,31-33H,20-21H2,1-2H3/t31-,32+,33-/m1/s1