methyl (2E,7E)-8-[2-methyl-3,6-bis(phenylsulfinyl)phenyl]octa-2,7-dienoate

Systemtic Name: methyl (2E,7E)-8-[2-methyl-3,6-bis(phenylsulfinyl)phenyl]octa-2,7-dienoate Openeye Name: methyl (2E,7E)-8-[3,6-bis(benzenesulfinyl)-2-methyl-phenyl]octa-2,7-dienoate CAS Name: (2E,7E)-8-[3,6-bis(benzenesulfinyl)-2-methylphenyl]octa-2,7-dienoic acid methyl ester IUPAC Name: methyl (2E,7E)-8-[3,6-bis(benzenesulfinyl)-2-methylphenyl]octa-2,7-dienoate Traditional Name: (2E,7E)-8-[3,6-bis(benzenesulfinyl)-2-methyl-phenyl]octa-2,7-dienoic acid methyl ester Formula: C28H28O4S2 MolecularWeight: 492.64952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C=CCCCC=CC(=O)OC)S(=O)C2=CC=CC=C2)S(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1/C=C/CCC/C=C/C(=O)OC)S(=O)C2=CC=CC=C2)S(=O)C3=CC=CC=C3

InChI

InChI=1S/C28H28O4S2/c1-22-25(18-12-4-3-5-13-19-28(29)32-2)27(34(31)24-16-10-7-11-17-24)21-20-26(22)33(30)23-14-8-6-9-15-23/h6-21H,3-5H2,1-2H3/b18-12+,19-13+