5-oxidanyl-4-oxidanylidene-7-[(11E,13E)-20-oxidanyl-20-oxidanylidene-icosa-11,13-dienyl]sulfanyl-chromene-2-carboxylic acid

Systemtic Name: 5-oxidanyl-4-oxidanylidene-7-[(11E,13E)-20-oxidanyl-20-oxidanylidene-icosa-11,13-dienyl]sulfanyl-chromene-2-carboxylic acid Openeye Name: 5-hydroxy-7-[(11E,13E)-20-hydroxy-20-oxo-icosa-11,13-dienyl]sulfanyl-4-oxo-chromene-2-carboxylic acid CAS Name: 5-hydroxy-7-[[(11E,13E)-20-hydroxy-20-oxoeicosa-11,13-dienyl]thio]-4-oxo-1-benzopyran-2-carboxylic acid IUPAC Name: 5-hydroxy-7-[(11E,13E)-20-hydroxy-20-oxoicosa-11,13-dienyl]sulfanyl-4-oxochromene-2-carboxylic acid Traditional Name: 5-hydroxy-7-[[(11E,13E)-20-hydroxy-20-keto-eicosa-11,13-dienyl]thio]-4-keto-chromene-2-carboxylic acid Formula: C30H40O7S MolecularWeight: 544.6994

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C(=C1O)C(=O)C=C(O2)C(=O)O)SCCCCCCCCCCC=CC=CCCCCCC(=O)O

Isomeric SMILES

C1=C(C=C2C(=C1O)C(=O)C=C(O2)C(=O)O)SCCCCCCCCCC/C=C/C=C/CCCCCC(=O)O

InChI

InChI=1S/C30H40O7S/c31-24-20-23(21-26-29(24)25(32)22-27(37-26)30(35)36)38-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-28(33)34/h2,4,6,8,20-22,31H,1,3,5,7,9-19H2,(H,33,34)(H,35,36)/b4-2+,8-6+