| Stereochemistry | ABSOLUTE |
| Molecular Formula | C16H16ClNO2S.C7H6O6S |
| Molecular Weight | 540.006 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O.COC(=O)[C@@H](N2CCC3=C(C2)C=CS3)C4=CC=CC=C4Cl
InChI
InChIKey=UJDPIKOEIMRDKW-RSAXXLAASA-N
InChI=1S/C16H16ClNO2S.C7H6O6S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14;8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h2-5,7,9,15H,6,8,10H2,1H3;1-3,8H,(H,9,10)(H,11,12,13)/t15-;/m0./s1
| Molecular Formula | C7H6O6S |
| Molecular Weight | 218.184 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C16H16ClNO2S |
| Molecular Weight | 321.822 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + ) |
