ethyl (4R)-4-[4-[(1S)-4-ethoxy-1-oxidanyl-4-oxidanylidene-but-2-ynyl]phenyl]-4-oxidanyl-but-2-ynoate

Systemtic Name: ethyl (4R)-4-[4-[(1S)-4-ethoxy-1-oxidanyl-4-oxidanylidene-but-2-ynyl]phenyl]-4-oxidanyl-but-2-ynoate Openeye Name: ethyl (4R)-4-[4-[(1S)-4-ethoxy-1-hydroxy-4-oxo-but-2-ynyl]phenyl]-4-hydroxy-but-2-ynoate CAS Name: (4R)-4-[4-[(1S)-4-ethoxy-1-hydroxy-4-oxobut-2-ynyl]phenyl]-4-hydroxy-2-butynoic acid ethyl ester IUPAC Name: ethyl (4R)-4-[4-[(1S)-4-ethoxy-1-hydroxy-4-oxobut-2-ynyl]phenyl]-4-hydroxybut-2-ynoate Traditional Name: (4R)-4-[4-[(1S)-4-ethoxy-1-hydroxy-4-keto-but-2-ynyl]phenyl]-4-hydroxy-but-2-ynoic acid ethyl ester Formula: C18H18O6 MolecularWeight: 330.33192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C#CC(C1=CC=C(C=C1)C(C#CC(=O)OCC)O)O

Isomeric SMILES

CCOC(=O)C#C[C@H](C1=CC=C(C=C1)[C@H](C#CC(=O)OCC)O)O

InChI

InChI=1S/C18H18O6/c1-3-23-17(21)11-9-15(19)13-5-7-14(8-6-13)16(20)10-12-18(22)24-4-2/h5-8,15-16,19-20H,3-4H2,1-2H3/t15-,16+