O6-tert-butyl O1,O1-diethyl 3-ethoxycarbothioylsulfanyl-6-oxidanylidene-1-phenyl-hexane-1,1,6-tricarboxylate

Systemtic Name: O6-tert-butyl O1,O1-diethyl 3-ethoxycarbothioylsulfanyl-6-oxidanylidene-1-phenyl-hexane-1,1,6-tricarboxylate Openeye Name: O6-tert-butyl O1,O1-diethyl 3-ethoxycarbothioylsulfanyl-6-oxo-1-phenyl-hexane-1,1,6-tricarboxylate CAS Name: 3-[[ethoxy(sulfanylidene)methyl]thio]-6-oxo-1-phenylhexane-1,1,6-tricarboxylic acid O6-tert-butyl ester O1,O1-diethyl ester IUPAC Name: 6-O-tert-butyl 1-O,1-O-diethyl 3-ethoxycarbothioylsulfanyl-6-oxo-1-phenylhexane-1,1,6-tricarboxylate Traditional Name: 3-(ethoxycarbothioylthio)-6-keto-1-phenyl-hexane-1,1,6-tricarboxylic acid O6-tert-butyl ester O1,O1-diethyl ester Formula: C26H36O8S2 MolecularWeight: 540.68924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(CCC(=O)C(=O)OC(C)(C)C)SC(=S)OCC)(C1=CC=CC=C1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC(CCC(=O)C(=O)OC(C)(C)C)SC(=S)OCC)(C1=CC=CC=C1)C(=O)OCC

InChI

InChI=1S/C26H36O8S2/c1-7-31-22(29)26(23(30)32-8-2,18-13-11-10-12-14-18)17-19(36-24(35)33-9-3)15-16-20(27)21(28)34-25(4,5)6/h10-14,19H,7-9,15-17H2,1-6H3