Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 5 results

Search term: XINFXFISYDXMAU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17472491

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C30H41NO4/c1-4-20(29-19(3)14-17-26(35-29)23(5-2)30(33)34)9-6-11-22-16-15-21-10-7-12-24(21)27(22)28(32)25-13-8-18-31-25/h6,8-9,11,13,15-16,18-19,21-24,26-27,29,31H,4-5,7,10,12,14,17H2,1-3H3,(H,33,34)/b11-6+,20-9+/t19-,21-,22?,23+,24+,26+,27+,29+/m0/s1
C30H41NO4479.65088600
4952505

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C30H41NO4/c1-4-20(29-19(3)14-17-26(35-29)23(5-2)30(33)34)9-6-11-22-16-15-21-10-7-12-24(21)27(22)28(32)25-13-8-18-31-25/h6,8-9,11,13,15-16,18-19,21-24,26-27,29,31H,4-5,7,10,12,14,17H2,1-3H3,(H,33,34)/b11-6+,20-9+/t19-,21-,22-,23+,24+,26?,27+,29+/m0/s1
C30H41NO4479.65085500
88297266

Double-bond stereo

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C30H41NO4/c1-4-20(29-19(3)14-17-26(35-29)23(5-2)30(33)34)9-6-11-22-16-15-21-10-7-12-24(21)27(22)28(32)25-13-8-18-31-25/h6,8-9,11,13,15-16,18-19,21-24,26-27,29,31H,4-5,7,10,12,14,17H2,1-3H3,(H,33,34)/b11-6+,20-9+/t19-,21-,22?,23?,24+,26+,27+,29+/m0/s1
C30H41NO4479.65083400
115284578

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C30H41NO4/c1-4-20(29-19(3)14-17-26(35-29)23(5-2)30(33)34)9-6-11-22-16-15-21-10-7-12-24(21)27(22)28(32)25-13-8-18-31-25/h6,8-9,11,13,15-16,18-19,21-24,26-27,29,31H,4-5,7,10,12,14,17H2,1-3H3,(H,33,34)/b11-6+,20-9+/t19-,21-,22+,23+,24+,26+,27+,29+/m0/s1
C30H41NO4479.65082200
129308743

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C30H41NO4/c1-4-20(29-19(3)14-17-26(35-29)23(5-2)30(33)34)9-6-11-22-16-15-21-10-7-12-24(21)27(22)28(32)25-13-8-18-31-25/h6,8-9,11,13,15-16,18-19,21-24,26-27,29,31H,4-5,7,10,12,14,17H2,1-3H3,(H,33,34)/b11-6u,20-9-/t19-,21-,22+,23+,24+,26+,27+,29+/m0/s1
C30H41NO4479.65081100

Advertisement