[(1S,2R)-1-oxidanyl-1,2,3,4-tetrahydrobenzo[a]anthracen-2-yl] 4-chloranylbenzoate

Systemtic Name: [(1S,2R)-1-oxidanyl-1,2,3,4-tetrahydrobenzo[a]anthracen-2-yl] 4-chloranylbenzoate Openeye Name: [(1S,2R)-1-hydroxy-1,2,3,4-tetrahydrobenzo[a]anthracen-2-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [(1S,2R)-1-hydroxy-1,2,3,4-tetrahydrobenzo[a]anthracen-2-yl] ester IUPAC Name: [(1S,2R)-1-hydroxy-1,2,3,4-tetrahydrobenzo[a]anthracen-2-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [(1S,2R)-1-hydroxy-1,2,3,4-tetrahydrobenz[a]anthracen-2-yl] ester Formula: C25H19ClO3 MolecularWeight: 402.86956

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C1OC(=O)C3=CC=C(C=C3)Cl)O)C4=CC5=CC=CC=C5C=C4C=C2

Isomeric SMILES

C1CC2=C([C@@H]([C@@H]1OC(=O)C3=CC=C(C=C3)Cl)O)C4=CC5=CC=CC=C5C=C4C=C2

InChI

InChI=1S/C25H19ClO3/c26-20-10-7-16(8-11-20)25(28)29-22-12-9-15-5-6-19-13-17-3-1-2-4-18(17)14-21(19)23(15)24(22)27/h1-8,10-11,13-14,22,24,27H,9,12H2/t22-,24-/m1/s1