Stereochemistry | EPIMERIC |
Molecular Formula | C35H36ClNO4S |
Molecular Weight | 602.183 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 2 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)(O)C1=CC=CC=C1CC[C@@H]([S@+]([O-])CC2(CC(O)=O)CC2)C3=CC=CC(\C=C\C4=NC5=CC(Cl)=CC=C5C=C4)=C3
InChI
InChIKey=QFTNWCBEAVHLQA-XNHCCDLUSA-N
InChI=1S/C35H36ClNO4S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(42(41)23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-,42?/m1/s1
Molecular Formula | C35H36ClNO4S |
Molecular Weight | 602.183 |
Charge | 0 |
Count |
MOL RATIO
1 MOL RATIO (average) |
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 1 |
Optical Activity | UNSPECIFIED |