[(2S)-3-(oxan-2-yloxy)-2-oxidanyl-propyl] 10-(4-methyl-2-oxidanylidene-chromen-7-yl)sulfanyldecanoate

Systemtic Name: [(2S)-3-(oxan-2-yloxy)-2-oxidanyl-propyl] 10-(4-methyl-2-oxidanylidene-chromen-7-yl)sulfanyldecanoate Openeye Name: [(2S)-2-hydroxy-3-tetrahydropyran-2-yloxy-propyl] 10-(4-methyl-2-oxo-chromen-7-yl)sulfanyldecanoate CAS Name: 10-[(4-methyl-2-oxo-1-benzopyran-7-yl)thio]decanoic acid [(2S)-2-hydroxy-3-(2-oxanyloxy)propyl] ester IUPAC Name: [(2S)-2-hydroxy-3-(oxan-2-yloxy)propyl] 10-(4-methyl-2-oxochromen-7-yl)sulfanyldecanoate Traditional Name: 10-[(2-keto-4-methyl-chromen-7-yl)thio]capric acid [(2S)-2-hydroxy-3-tetrahydropyran-2-yloxy-propyl] ester Formula: C28H40O7S MolecularWeight: 520.678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)SCCCCCCCCCC(=O)OCC(COC3CCCCO3)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)SCCCCCCCCCC(=O)OC[C@H](COC3CCCCO3)O

InChI

InChI=1S/C28H40O7S/c1-21-17-27(31)35-25-18-23(13-14-24(21)25)36-16-10-6-4-2-3-5-7-11-26(30)33-19-22(29)20-34-28-12-8-9-15-32-28/h13-14,17-18,22,28-29H,2-12,15-16,19-20H2,1H3/t22-,28?/m1/s1