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methyl 2-tert-butyl-3-[(6-oxidanyl-4-oxidanylidene-2-phenethyl-2-phenyl-3H-pyran-5-yl)sulfanyl]benzoate

methyl 2-tert-butyl-3-[(6-oxidanyl-4-oxidanylidene-2-phenethyl-2-phenyl-3H-pyran-5-yl)sulfanyl]benzoate

Systemtic Name:methyl 2-tert-butyl-3-[(6-oxidanyl-4-oxidanylidene-2-phenethyl-2-phenyl-3H-pyran-5-yl)sulfanyl]benzoate
Openeye Name:methyl 2-tert-butyl-3-[(6-hydroxy-4-oxo-2-phenethyl-2-phenyl-3H-pyran-5-yl)sulfanyl]benzoate
CAS Name:2-tert-butyl-3-[(6-hydroxy-4-oxo-2-phenethyl-2-phenyl-3H-pyran-5-yl)thio]benzoic acid methyl ester
IUPAC Name:methyl 2-tert-butyl-3-[(6-hydroxy-4-oxo-2-phenethyl-2-phenyl-3H-pyran-5-yl)sulfanyl]benzoate
Traditional Name:2-tert-butyl-3-[(6-hydroxy-4-keto-2-phenethyl-2-phenyl-3H-pyran-5-yl)thio]benzoic acid methyl ester
Formula: C31H32O5S
MolecularWeight: 516.64778
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC=C1SC2=C(OC(CC2=O)(CCC3=CC=CC=C3)C4=CC=CC=C4)O)C(=O)OC


Isomeric SMILES

CC(C)(C)C1=C(C=CC=C1SC2=C(OC(CC2=O)(CCC3=CC=CC=C3)C4=CC=CC=C4)O)C(=O)OC


InChI

InChI=1S/C31H32O5S/c1-30(2,3)26-23(28(33)35-4)16-11-17-25(26)37-27-24(32)20-31(36-29(27)34,22-14-9-6-10-15-22)19-18-21-12-7-5-8-13-21/h5-17,34H,18-20H2,1-4H3


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