[(8S)-1-(4-methoxyphenyl)-1,8,9-tris(oxidanyl)dec-3-yn-5-yl] ethanoate

Systemtic Name: [(8S)-1-(4-methoxyphenyl)-1,8,9-tris(oxidanyl)dec-3-yn-5-yl] ethanoate Openeye Name: [(4S)-4,5-dihydroxy-1-[4-hydroxy-4-(4-methoxyphenyl)but-1-ynyl]hexyl] acetate CAS Name: acetic acid [(8S)-1,8,9-trihydroxy-1-(4-methoxyphenyl)dec-3-yn-5-yl] ester IUPAC Name: [(8S)-1,8,9-trihydroxy-1-(4-methoxyphenyl)dec-3-yn-5-yl] acetate Traditional Name: acetic acid [1-[(3S)-3,4-dihydroxypentyl]-5-hydroxy-5-(4-methoxyphenyl)pent-2-ynyl] ester Formula: C19H26O6 MolecularWeight: 350.40614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26O6/c1-13(20)18(22)12-11-17(25-14(2)21)5-4-6-19(23)15-7-9-16(24-3)10-8-15/h7-10,13,17-20,22-23H,6,11-12H2,1-3H3/t13?,17?,18-,19?/m0/s1