[(18R)-20-methoxy-18-oxidanyl-20-oxidanylidene-icosa-6,9,12,15-tetrayn-3-yl] benzoate

Systemtic Name: [(18R)-20-methoxy-18-oxidanyl-20-oxidanylidene-icosa-6,9,12,15-tetrayn-3-yl] benzoate Openeye Name: [(16R)-1-ethyl-16-hydroxy-18-methoxy-18-oxo-octadeca-4,7,10,13-tetraynyl] benzoate CAS Name: benzoic acid [(18R)-18-hydroxy-20-methoxy-20-oxoeicosa-6,9,12,15-tetrayn-3-yl] ester IUPAC Name: [(18R)-18-hydroxy-20-methoxy-20-oxoicosa-6,9,12,15-tetrayn-3-yl] benzoate Traditional Name: benzoic acid [(16R)-1-ethyl-16-hydroxy-18-keto-18-methoxy-octadeca-4,7,10,13-tetraynyl] ester Formula: C28H30O5 MolecularWeight: 446.5348

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC#CCC#CCC#CCC#CCC(CC(=O)OC)O)OC(=O)C1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C28H30O5/c1-3-26(33-28(31)24-19-15-14-16-20-24)22-18-13-11-9-7-5-4-6-8-10-12-17-21-25(29)23-27(30)32-2/h14-16,19-20,25-26,29H,3-4,9-10,18,21-23H2,1-2H3/t25-,26?/m1/s1