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 3 results

Search term: SXJXXDFKTCCRQQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7874232

Double-bond stereo

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C28H37N5O7/c1-16(29-30-24-7-5-19(32(37)38)14-25(24)33(39)40)26-17(15-31(35)36)12-23-21-6-4-18-13-20(34)8-10-27(18,2)22(21)9-11-28(23,26)3/h4-5,7,14,17,20-23,26,30,34H,6,8-13,15H2,1-3H3/b29-16-/t17-,20-,21?,22?,23?,26-,27-,28-/m0/s1
C28H37N5O7555.62278300
4344661

Double-bond stereo

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C28H37N5O7/c1-16(29-30-24-7-5-19(32(37)38)14-25(24)33(39)40)26-17(15-31(35)36)12-23-21-6-4-18-13-20(34)8-10-27(18,2)22(21)9-11-28(23,26)3/h4-5,7,14,17,20-23,26,30,34H,6,8-13,15H2,1-3H3
C28H37N5O7555.6226799999984100
24814067

Double-bond stereo

2 of 8 defined stereocentres - 2/8 defined
InChI=1/C28H37N5O7/c1-16(29-30-24-7-5-19(32(37)38)14-25(24)33(39)40)26-17(15-31(35)36)12-23-21-6-4-18-13-20(34)8-10-27(18,2)22(21)9-11-28(23,26)3/h4-5,7,14,17,20-23,26,30,34H,6,8-13,15H2,1-3H3/t17?,20?,21?,22?,23?,26?,27-,28-/m0/s1
C28H37N5O7555.62271100

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