7-[(7E,9E)-5-oxidanylicosa-7,9-dien-6-yl]sulfanyl-4-oxidanylidene-chromene-2-carboxylic acid

Systemtic Name: 7-[(7E,9E)-5-oxidanylicosa-7,9-dien-6-yl]sulfanyl-4-oxidanylidene-chromene-2-carboxylic acid Openeye Name: 7-[(2E,4E)-1-(1-hydroxypentyl)pentadeca-2,4-dienyl]sulfanyl-4-oxo-chromene-2-carboxylic acid CAS Name: 7-[[(7E,9E)-5-hydroxyeicosa-7,9-dien-6-yl]thio]-4-oxo-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[(7E,9E)-5-hydroxyicosa-7,9-dien-6-yl]sulfanyl-4-oxochromene-2-carboxylic acid Traditional Name: 7-[[(2E,4E)-1-(1-hydroxypentyl)pentadeca-2,4-dienyl]thio]-4-keto-chromene-2-carboxylic acid Formula: C30H42O5S MolecularWeight: 514.71648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC=CC=CC(C(CCCC)O)SC1=CC2=C(C=C1)C(=O)C=C(O2)C(=O)O

Isomeric SMILES

CCCCCCCCCC/C=C/C=C/C(C(CCCC)O)SC1=CC2=C(C=C1)C(=O)C=C(O2)C(=O)O

InChI

InChI=1S/C30H42O5S/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-29(25(31)17-6-4-2)36-23-19-20-24-26(32)22-28(30(33)34)35-27(24)21-23/h14-16,18-22,25,29,31H,3-13,17H2,1-2H3,(H,33,34)/b15-14+,18-16+