TK6
Summary
Name: | (5,6,7,8,9,10-hexahydrobenzo[8]annulen-2-yl)acetic acid |
Formula: | C14 H18 O2 |
Formal charge: | 0 |
Formula weight: | 218.292 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (5,6,7,8,9,10-hexahydrobenzo[8]annulen-2-yl)acetic acid |
OpenEye OEToolkits | 2.0.7 | 2-(5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-yl)ethanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)Cc1cc2CCCCCCc2cc1 |
InChI | InChI | 1.06 | InChI=1S/C14H18O2/c15-14(16)10-11-7-8-12-5-3-1-2-4-6-13(12)9-11/h7-9H,1-6,10H2,(H,15,16) |
InChIKey | InChI | 1.06 | UEYHGMIMELXAJU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)Cc1ccc2CCCCCCc2c1 |
SMILES | CACTVS | 3.385 | OC(=O)Cc1ccc2CCCCCCc2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1CC(=O)O)CCCCCC2 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1CC(=O)O)CCCCCC2 |