5-oxidanyl-4-oxidanylidene-7-[(E)-20-oxidanyl-20-oxidanylidene-icos-13-enyl]sulfanyl-chromene-2-carboxylic acid

Systemtic Name: 5-oxidanyl-4-oxidanylidene-7-[(E)-20-oxidanyl-20-oxidanylidene-icos-13-enyl]sulfanyl-chromene-2-carboxylic acid Openeye Name: 5-hydroxy-7-[(E)-20-hydroxy-20-oxo-icos-13-enyl]sulfanyl-4-oxo-chromene-2-carboxylic acid CAS Name: 5-hydroxy-7-[[(E)-20-hydroxy-20-oxoeicos-13-enyl]thio]-4-oxo-1-benzopyran-2-carboxylic acid IUPAC Name: 5-hydroxy-7-[(E)-20-hydroxy-20-oxoicos-13-enyl]sulfanyl-4-oxochromene-2-carboxylic acid Traditional Name: 5-hydroxy-7-[[(E)-20-hydroxy-20-keto-eicos-13-enyl]thio]-4-keto-chromene-2-carboxylic acid Formula: C30H42O7S MolecularWeight: 546.71528

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C(=C1O)C(=O)C=C(O2)C(=O)O)SCCCCCCCCCCCCC=CCCCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C30H42O7S/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/h6,8,20-22,31H,1-5,7,9-19H2,(H,33,34)(H,35,36)/b8-6+