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

Systemtic Name: methyl 7-[6-methoxy-1-(4-nonylphenyl)-6-oxidanylidene-hexyl]sulfanyl-4-oxidanylidene-8-propyl-chromene-2-carboxylate Openeye Name: methyl 7-[6-methoxy-1-(4-nonylphenyl)-6-oxo-hexyl]sulfanyl-4-oxo-8-propyl-chromene-2-carboxylate CAS Name: 7-[[6-methoxy-1-(4-nonylphenyl)-6-oxohexyl]thio]-4-oxo-8-propyl-1-benzopyran-2-carboxylic acid methyl ester IUPAC Name: methyl 7-[6-methoxy-1-(4-nonylphenyl)-6-oxohexyl]sulfanyl-4-oxo-8-propylchromene-2-carboxylate Traditional Name: 4-keto-7-[[6-keto-6-methoxy-1-(4-nonylphenyl)hexyl]thio]-8-propyl-chromene-2-carboxylic acid methyl ester Formula: C36H48O6S MolecularWeight: 608.82772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(CCCCC(=O)OC)SC2=C(C3=C(C=C2)C(=O)C=C(O3)C(=O)OC)CCC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(CCCCC(=O)OC)SC2=C(C3=C(C=C2)C(=O)C=C(O3)C(=O)OC)CCC

InChI

InChI=1S/C36H48O6S/c1-5-7-8-9-10-11-12-16-26-19-21-27(22-20-26)32(17-13-14-18-34(38)40-3)43-33-24-23-28-30(37)25-31(36(39)41-4)42-35(28)29(33)15-6-2/h19-25,32H,5-18H2,1-4H3