methyl (5S)-5-oxidanyl-7-[4-(1-oxidanylnon-3-ynyl)phenyl]hept-6-ynoate

Systemtic Name: methyl (5S)-5-oxidanyl-7-[4-(1-oxidanylnon-3-ynyl)phenyl]hept-6-ynoate Openeye Name: methyl (5S)-5-hydroxy-7-[4-(1-hydroxynon-3-ynyl)phenyl]hept-6-ynoate CAS Name: (5S)-5-hydroxy-7-[4-(1-hydroxynon-3-ynyl)phenyl]-6-heptynoic acid methyl ester IUPAC Name: methyl (5S)-5-hydroxy-7-[4-(1-hydroxynon-3-ynyl)phenyl]hept-6-ynoate Traditional Name: (5S)-5-hydroxy-7-[4-(1-hydroxynon-3-ynyl)phenyl]hept-6-ynoic acid methyl ester Formula: C23H30O4 MolecularWeight: 370.4819

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CCC(C1=CC=C(C=C1)C#CC(CCCC(=O)OC)O)O

Isomeric SMILES

CCCCCC#CCC(C1=CC=C(C=C1)C#C[C@H](CCCC(=O)OC)O)O

InChI

InChI=1S/C23H30O4/c1-3-4-5-6-7-8-11-22(25)20-16-13-19(14-17-20)15-18-21(24)10-9-12-23(26)27-2/h13-14,16-17,21-22,24-25H,3-6,9-12H2,1-2H3/t21-,22?/m0/s1