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

Systemtic Name: [4-oxidanylidene-3-[(E)-5-oxidanylpentadec-7-en-6-yl]sulfanyl-chromen-2-yl] hydrogen carbonate Openeye Name: [3-[(E)-1-(1-hydroxypentyl)dec-2-enyl]sulfanyl-4-oxo-chromen-2-yl] hydrogen carbonate CAS Name: carbonic acid [3-[[(E)-5-hydroxypentadec-7-en-6-yl]thio]-4-oxo-1-benzopyran-2-yl] ester IUPAC Name: [3-[(E)-5-hydroxypentadec-7-en-6-yl]sulfanyl-4-oxochromen-2-yl] hydrogen carbonate Traditional Name: carbonic acid [3-[[(E)-1-(1-hydroxypentyl)dec-2-enyl]thio]-4-keto-chromen-2-yl] ester Formula: C25H34O6S MolecularWeight: 462.59886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34O6S/c1-3-5-7-8-9-10-11-17-21(19(26)15-6-4-2)32-23-22(27)18-14-12-13-16-20(18)30-24(23)31-25(28)29/h11-14,16-17,19,21,26H,3-10,15H2,1-2H3,(H,28,29)/b17-11+