methyl [3-[(7E,9E,11E)-5-oxidanylicosa-7,9,11-trien-6-yl]sulfanyl-4-oxidanylidene-chromen-2-yl] carbonate

Systemtic Name: methyl [3-[(7E,9E,11E)-5-oxidanylicosa-7,9,11-trien-6-yl]sulfanyl-4-oxidanylidene-chromen-2-yl] carbonate Openeye Name: [3-[(2E,4E,6E)-1-(1-hydroxypentyl)pentadeca-2,4,6-trienyl]sulfanyl-4-oxo-chromen-2-yl] methyl carbonate CAS Name: carbonic acid [3-[[(7E,9E,11E)-5-hydroxyeicosa-7,9,11-trien-6-yl]thio]-4-oxo-1-benzopyran-2-yl] methyl ester IUPAC Name: [3-[(7E,9E,11E)-5-hydroxyicosa-7,9,11-trien-6-yl]sulfanyl-4-oxochromen-2-yl] methyl carbonate Traditional Name: carbonic acid [3-[[(2E,4E,6E)-1-(1-hydroxypentyl)pentadeca-2,4,6-trienyl]thio]-4-keto-chromen-2-yl] methyl ester Formula: C31H42O6S MolecularWeight: 542.72658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CC=CC=CC(C(CCCC)O)SC1=C(OC2=CC=CC=C2C1=O)OC(=O)OC

Isomeric SMILES

CCCCCCCC/C=C/C=C/C=C/C(C(CCCC)O)SC1=C(OC2=CC=CC=C2C1=O)OC(=O)OC

InChI

InChI=1S/C31H42O6S/c1-4-6-8-9-10-11-12-13-14-15-16-17-23-27(25(32)21-7-5-2)38-29-28(33)24-20-18-19-22-26(24)36-30(29)37-31(34)35-3/h13-20,22-23,25,27,32H,4-12,21H2,1-3H3/b14-13+,16-15+,23-17+