methyl [3-[(E)-5-oxidanylicos-7-en-6-yl]sulfanyl-4-oxidanylidene-chromen-2-yl] carbonate

Systemtic Name: methyl [3-[(E)-5-oxidanylicos-7-en-6-yl]sulfanyl-4-oxidanylidene-chromen-2-yl] carbonate Openeye Name: [3-[(E)-1-(1-hydroxypentyl)pentadec-2-enyl]sulfanyl-4-oxo-chromen-2-yl] methyl carbonate CAS Name: carbonic acid [3-[[(E)-5-hydroxyeicos-7-en-6-yl]thio]-4-oxo-1-benzopyran-2-yl] methyl ester IUPAC Name: [3-[(E)-5-hydroxyicos-7-en-6-yl]sulfanyl-4-oxochromen-2-yl] methyl carbonate Traditional Name: carbonic acid [3-[[(E)-1-(1-hydroxypentyl)pentadec-2-enyl]thio]-4-keto-chromen-2-yl] methyl ester Formula: C31H46O6S MolecularWeight: 546.75834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H46O6S/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/h17-20,22-23,25,27,32H,4-16,21H2,1-3H3/b23-17+