methyl 7-[7-methoxy-1-(4-octylphenyl)-2-oxidanyl-7-oxidanylidene-heptyl]sulfanyl-4-oxidanylidene-8-propyl-chromene-2-carboxylate

Systemtic Name: methyl 7-[7-methoxy-1-(4-octylphenyl)-2-oxidanyl-7-oxidanylidene-heptyl]sulfanyl-4-oxidanylidene-8-propyl-chromene-2-carboxylate Openeye Name: methyl 7-[2-hydroxy-7-methoxy-1-(4-octylphenyl)-7-oxo-heptyl]sulfanyl-4-oxo-8-propyl-chromene-2-carboxylate CAS Name: 7-[[2-hydroxy-7-methoxy-1-(4-octylphenyl)-7-oxoheptyl]thio]-4-oxo-8-propyl-1-benzopyran-2-carboxylic acid methyl ester IUPAC Name: methyl 7-[2-hydroxy-7-methoxy-1-(4-octylphenyl)-7-oxoheptyl]sulfanyl-4-oxo-8-propylchromene-2-carboxylate Traditional Name: 7-[[2-hydroxy-7-keto-7-methoxy-1-(4-octylphenyl)heptyl]thio]-4-keto-8-propyl-chromene-2-carboxylic acid methyl ester Formula: C36H48O7S MolecularWeight: 624.82712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(C(CCCCC(=O)OC)O)SC2=C(C3=C(C=C2)C(=O)C=C(O3)C(=O)OC)CCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(C(CCCCC(=O)OC)O)SC2=C(C3=C(C=C2)C(=O)C=C(O3)C(=O)OC)CCC

InChI

InChI=1S/C36H48O7S/c1-5-7-8-9-10-11-15-25-18-20-26(21-19-25)35(29(37)16-12-13-17-33(39)41-3)44-32-23-22-27-30(38)24-31(36(40)42-4)43-34(27)28(32)14-6-2/h18-24,29,35,37H,5-17H2,1-4H3