prop-2-ynyl (2R,6S)-1-cyano-4-(1-cyano-2-oxidanylidene-2-prop-2-ynoxy-ethyl)-2,6-bis(4-prop-2-ynoxyphenyl)cyclohexane-1-carboxylate

Systemtic Name: prop-2-ynyl (2R,6S)-1-cyano-4-(1-cyano-2-oxidanylidene-2-prop-2-ynoxy-ethyl)-2,6-bis(4-prop-2-ynoxyphenyl)cyclohexane-1-carboxylate Openeye Name: prop-2-ynyl (2R,6S)-1-cyano-4-(1-cyano-2-oxo-2-prop-2-ynoxy-ethyl)-2,6-bis(4-prop-2-ynoxyphenyl)cyclohexanecarboxylate CAS Name: (2R,6S)-1-cyano-4-(1-cyano-2-oxo-2-prop-2-ynoxyethyl)-2,6-bis(4-prop-2-ynoxyphenyl)-1-cyclohexanecarboxylic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl (2R,6S)-1-cyano-4-(1-cyano-2-oxo-2-prop-2-ynoxyethyl)-2,6-bis(4-prop-2-ynoxyphenyl)cyclohexane-1-carboxylate Traditional Name: (2R,6S)-1-cyano-4-(1-cyano-2-keto-2-propargyloxy-ethyl)-2,6-bis(4-propargyloxyphenyl)cyclohexanecarboxylic acid propargyl ester Formula: C35H28N2O6 MolecularWeight: 572.60662

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC=C(C=C1)C2CC(CC(C2(C#N)C(=O)OCC#C)C3=CC=C(C=C3)OCC#C)C(C#N)C(=O)OCC#C

Isomeric SMILES

C#CCOC1=CC=C(C=C1)[C@H]2CC(C[C@H](C2(C#N)C(=O)OCC#C)C3=CC=C(C=C3)OCC#C)C(C#N)C(=O)OCC#C

InChI

InChI=1S/C35H28N2O6/c1-5-17-40-28-13-9-25(10-14-28)31-21-27(30(23-36)33(38)42-19-7-3)22-32(35(31,24-37)34(39)43-20-8-4)26-11-15-29(16-12-26)41-18-6-2/h1-4,9-16,27,30-32H,17-22H2/t27?,30?,31-,32+,35?