methyl 7-[(11E,13E)-20-methoxy-19-oxidanyl-20-oxidanylidene-icosa-11,13-dienyl]sulfanyl-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: methyl 7-[(11E,13E)-20-methoxy-19-oxidanyl-20-oxidanylidene-icosa-11,13-dienyl]sulfanyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: methyl 7-[(11E,13E)-19-hydroxy-20-methoxy-20-oxo-icosa-11,13-dienyl]sulfanyl-4-oxo-chromene-2-carboxylate CAS Name: 7-[[(11E,13E)-19-hydroxy-20-methoxy-20-oxoeicosa-11,13-dienyl]thio]-4-oxo-1-benzopyran-2-carboxylic acid methyl ester IUPAC Name: methyl 7-[(11E,13E)-19-hydroxy-20-methoxy-20-oxoicosa-11,13-dienyl]sulfanyl-4-oxochromene-2-carboxylate Traditional Name: 7-[[(11E,13E)-19-hydroxy-20-keto-20-methoxy-eicosa-11,13-dienyl]thio]-4-keto-chromene-2-carboxylic acid methyl ester Formula: C32H44O7S MolecularWeight: 572.75256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=O)C2=C(O1)C=C(C=C2)SCCCCCCCCCCC=CC=CCCCCC(C(=O)OC)O

Isomeric SMILES

COC(=O)C1=CC(=O)C2=C(O1)C=C(C=C2)SCCCCCCCCCC/C=C/C=C/CCCCC(C(=O)OC)O

InChI

InChI=1S/C32H44O7S/c1-37-31(35)27(33)19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-22-40-25-20-21-26-28(34)24-30(32(36)38-2)39-29(26)23-25/h5,7,9,11,20-21,23-24,27,33H,3-4,6,8,10,12-19,22H2,1-2H3/b7-5+,11-9+