methyl 7-[1-[3-(butylsulfanylmethyl)phenyl]-6-methoxy-6-oxidanylidene-hexyl]sulfanyl-4-oxidanylidene-8-propyl-chromene-2-carboxylate

Systemtic Name: methyl 7-[1-[3-(butylsulfanylmethyl)phenyl]-6-methoxy-6-oxidanylidene-hexyl]sulfanyl-4-oxidanylidene-8-propyl-chromene-2-carboxylate Openeye Name: methyl 7-[1-[3-(butylsulfanylmethyl)phenyl]-6-methoxy-6-oxo-hexyl]sulfanyl-4-oxo-8-propyl-chromene-2-carboxylate CAS Name: 7-[[1-[3-[(butylthio)methyl]phenyl]-6-methoxy-6-oxohexyl]thio]-4-oxo-8-propyl-1-benzopyran-2-carboxylic acid methyl ester IUPAC Name: methyl 7-[1-[3-(butylsulfanylmethyl)phenyl]-6-methoxy-6-oxohexyl]sulfanyl-4-oxo-8-propylchromene-2-carboxylate Traditional Name: 7-[[1-[3-[(butylthio)methyl]phenyl]-6-keto-6-methoxy-hexyl]thio]-4-keto-8-propyl-chromene-2-carboxylic acid methyl ester Formula: C32H40O6S2 MolecularWeight: 584.7864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC1=CC(=CC=C1)C(CCCCC(=O)OC)SC2=C(C3=C(C=C2)C(=O)C=C(O3)C(=O)OC)CCC

Isomeric SMILES

CCCCSCC1=CC(=CC=C1)C(CCCCC(=O)OC)SC2=C(C3=C(C=C2)C(=O)C=C(O3)C(=O)OC)CCC

InChI

InChI=1S/C32H40O6S2/c1-5-7-18-39-21-22-12-10-13-23(19-22)28(14-8-9-15-30(34)36-3)40-29-17-16-24-26(33)20-27(32(35)37-4)38-31(24)25(29)11-6-2/h10,12-13,16-17,19-20,28H,5-9,11,14-15,18,21H2,1-4H3