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: WIFRXHSYMJBOJD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4948227

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C28H30N2O7/c1-18(2)11-7-3-4-8-12-22(33)29-19-17-28(36,27-26(37-27)25(19)35)16-10-6-5-9-13-23(34)30-24-20(31)14-15-21(24)32/h3-13,16-18,26-27,31,36H,14-15H2,1-2H3,(H,29,33)(H,30,34)/b4-3+,6-5+,11-7+,12-8+,13-9+,16-10+/t26-,27-,28+/m1/s1
C28H30N2O7506.5478700
8227482

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C28H30N2O7/c1-18(2)11-7-3-4-8-12-22(33)29-19-17-28(36,27-26(37-27)25(19)35)16-10-6-5-9-13-23(34)30-24-20(31)14-15-21(24)32/h3-13,16-18,26-27,31,36H,14-15H2,1-2H3,(H,29,33)(H,30,34)/b4-3+,6-5+,11-7+,12-8+,13-9+,16-10+/t26?,27?,28-/m0/s1
C28H30N2O7506.5474200
8089813

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C28H30N2O7/c1-18(2)11-7-3-4-8-12-22(33)29-19-17-28(36,27-26(37-27)25(19)35)16-10-6-5-9-13-23(34)30-24-20(31)14-15-21(24)32/h3-13,16-18,26-27,31,36H,14-15H2,1-2H3,(H,29,33)(H,30,34)/b4-3+,6-5+,11-7+,12-8+,13-9+,16-10+
C28H30N2O7506.5473200
9974431

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C28H30N2O7/c1-18(2)11-7-3-4-8-12-22(33)29-19-17-28(36,27-26(37-27)25(19)35)16-10-6-5-9-13-23(34)30-24-20(31)14-15-21(24)32/h3-13,16-18,26-27,31,36H,14-15H2,1-2H3,(H,29,33)(H,30,34)/b4-3+,6-5+,11-7+,12-8+,13-9+,16-10+/t26-,27-,28+/m1/s1/i16+1
C2713CH30N2O7507.53972200
68024384

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C28H30N2O7/c1-18(2)11-7-3-4-8-12-22(33)29-19-17-28(36,27-26(37-27)25(19)35)16-10-6-5-9-13-23(34)30-24-20(31)14-15-21(24)32/h3-13,16-18,26-27,31,36H,14-15H2,1-2H3,(H,29,33)(H,30,34)/b4-3+,6-5+,11-7+,12-8+,13-9+,16-10+/t26-,27-,28+/m0/s1
C28H30N2O7506.5471100

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