[(1S,2R)-2-phenanthren-9-ylcyclohexyl] 3-(1,3-benzodioxol-5-yl)-3-oxidanyl-propanoate

Systemtic Name: [(1S,2R)-2-phenanthren-9-ylcyclohexyl] 3-(1,3-benzodioxol-5-yl)-3-oxidanyl-propanoate Openeye Name: [(1S,2R)-2-(9-phenanthryl)cyclohexyl] 3-(1,3-benzodioxol-5-yl)-3-hydroxy-propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)-3-hydroxypropanoic acid [(1S,2R)-2-(9-phenanthrenyl)cyclohexyl] ester IUPAC Name: [(1S,2R)-2-phenanthren-9-ylcyclohexyl] 3-(1,3-benzodioxol-5-yl)-3-hydroxypropanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-hydroxy-propionic acid [(1S,2R)-2-(9-phenanthryl)cyclohexyl] ester Formula: C30H28O5 MolecularWeight: 468.54032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C2=CC3=CC=CC=C3C4=CC=CC=C42)OC(=O)CC(C5=CC6=C(C=C5)OCO6)O

Isomeric SMILES

C1CC[C@@H]([C@H](C1)C2=CC3=CC=CC=C3C4=CC=CC=C42)OC(=O)CC(C5=CC6=C(C=C5)OCO6)O

InChI

InChI=1S/C30H28O5/c31-26(20-13-14-28-29(16-20)34-18-33-28)17-30(32)35-27-12-6-5-11-24(27)25-15-19-7-1-2-8-21(19)22-9-3-4-10-23(22)25/h1-4,7-10,13-16,24,26-27,31H,5-6,11-12,17-18H2/t24-,26?,27+/m1/s1