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88341-40-6 | 6,10-Dithiaspiro[4.5]dec-1-ene-1-carboxaldehyde, 3-(benzoyloxy)-, (R)-
CAS No: 88341-40-6 Catalog No: AG0089ML MDL No:
Product Description
Catalog Number:
AG0089ML
Chemical Name:
6,10-Dithiaspiro[4.5]dec-1-ene-1-carboxaldehyde, 3-(benzoyloxy)-, (R)-
CAS Number:
88341-40-6
Molecular Formula:
C16H16O3S2
Molecular Weight:
320.4264
IUPAC Name:
[(2R)-4-formyl-6,10-dithiaspiro[4.5]dec-3-en-2-yl] benzoate
InChI:
InChI=1S/C16H16O3S2/c17-11-13-9-14(10-16(13)20-7-4-8-21-16)19-15(18)12-5-2-1-3-6-12/h1-3,5-6,9,11,14H,4,7-8,10H2/t14-/m0/s1
InChI Key:
QYHHWLVPRGOCDA-AWEZNQCLSA-N
SMILES:
O=CC1=C[C@@H](CC21SCCCS2)OC(=O)c1ccccc1
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
320.054g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.421g/mol
Monoisotopic Mass:
320.054g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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