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

Systemtic Name: [3-[(7E,9E)-5-oxidanylicosa-7,9-dien-6-yl]sulfanyl-4-oxidanylidene-chromen-2-yl] hydrogen carbonate Openeye Name: [3-[(2E,4E)-1-(1-hydroxypentyl)pentadeca-2,4-dienyl]sulfanyl-4-oxo-chromen-2-yl] hydrogen carbonate CAS Name: carbonic acid [3-[[(7E,9E)-5-hydroxyeicosa-7,9-dien-6-yl]thio]-4-oxo-1-benzopyran-2-yl] ester IUPAC Name: [3-[(7E,9E)-5-hydroxyicosa-7,9-dien-6-yl]sulfanyl-4-oxochromen-2-yl] hydrogen carbonate Traditional Name: carbonic acid [3-[[(2E,4E)-1-(1-hydroxypentyl)pentadeca-2,4-dienyl]thio]-4-keto-chromen-2-yl] ester Formula: C30H42O6S MolecularWeight: 530.71588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H42O6S/c1-3-5-7-8-9-10-11-12-13-14-15-16-22-26(24(31)20-6-4-2)37-28-27(32)23-19-17-18-21-25(23)35-29(28)36-30(33)34/h14-19,21-22,24,26,31H,3-13,20H2,1-2H3,(H,33,34)/b15-14+,22-16+