QAP
Summary
| Name: | 2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| Formula: | C17 H16 O4 |
| Formal charge: | 0 |
| Formula weight: | 284.307 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| OpenEye OEToolkits | 1.7.6 | 2-phenylethyl (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OCCc1ccccc1)\C=C\c2cc(O)c(O)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+ |
| InChIKey | InChI | 1.03 | SWUARLUWKZWEBQ-VQHVLOKHSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Oc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1O |
| SMILES | CACTVS | 3.370 | Oc1ccc(C=CC(=O)OCCc2ccccc2)cc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CCOC(=O)/C=C/c2ccc(c(c2)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CCOC(=O)C=Cc2ccc(c(c2)O)O |
