(1S,6R)-1,6-bis(4-nitrophenyl)hex-3-yne-1,6-diol

Systemtic Name: (1S,6R)-1,6-bis(4-nitrophenyl)hex-3-yne-1,6-diol Openeye Name: (1S,6R)-1,6-bis(4-nitrophenyl)hex-3-yne-1,6-diol CAS Name: (1S,6R)-1,6-bis(4-nitrophenyl)-3-hexyne-1,6-diol IUPAC Name: (1S,6R)-1,6-bis(4-nitrophenyl)hex-3-yne-1,6-diol Traditional Name: (1S,6R)-1,6-bis(4-nitrophenyl)hex-3-yne-1,6-diol Formula: C18H16N2O6 MolecularWeight: 356.32944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CC#CCC(C2=CC=C(C=C2)[N+](=O)[O-])O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1[C@@H](CC#CC[C@@H](C2=CC=C(C=C2)[N+](=O)[O-])O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O6/c21-17(13-5-9-15(10-6-13)19(23)24)3-1-2-4-18(22)14-7-11-16(12-8-14)20(25)26/h5-12,17-18,21-22H,3-4H2/t17-,18+