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 6 results

Search term: CKUQYWXDGWJYIQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
12521393

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C26H26N6O3S/c1-3-13-32-24(16-27-22-10-6-8-18-7-4-5-9-21(18)22)29-31-26(32)36-17(2)25(35)30-28-15-19-11-12-20(33)14-23(19)34/h3-12,14-15,17,27,33-34H,1,13,16H2,2H3,(H,30,35)/b28-15+
C26H26N6O3S502.588161300
24815232

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C26H26N6O3S/c1-3-13-32-24(16-27-22-10-6-8-18-7-4-5-9-21(18)22)29-31-26(32)36-17(2)25(35)30-28-15-19-11-12-20(33)14-23(19)34/h3-12,14-15,17,27,33-34H,1,13,16H2,2H3,(H,30,35)
C26H26N6O3S502.5883200
62503820

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C26H26N6O3S/c1-3-13-32-24(16-27-22-10-6-8-18-7-4-5-9-21(18)22)29-31-26(32)36-17(2)25(35)30-28-15-19-11-12-20(33)14-23(19)34/h3-12,14-15,17,27,33-34H,1,13,16H2,2H3,(H,30,35)/b28-15+/t17-/m1/s1
C26H26N6O3S502.5882200
62504851

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C26H26N6O3S/c1-3-13-32-24(16-27-22-10-6-8-18-7-4-5-9-21(18)22)29-31-26(32)36-17(2)25(35)30-28-15-19-11-12-20(33)14-23(19)34/h3-12,14-15,17,27,33-34H,1,13,16H2,2H3,(H,30,35)/b28-15+/t17-/m0/s1
C26H26N6O3S502.5882200
21210177

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C26H26N6O3S/c1-3-13-32-24(16-27-22-10-6-8-18-7-4-5-9-21(18)22)29-31-26(32)36-17(2)25(35)30-28-15-19-11-12-20(33)14-23(19)34/h3-12,14-15,17,27,33-34H,1,13,16H2,2H3,(H,30,35)/b28-15-/t17-/m1/s1
C26H26N6O3S502.5881200
21225790

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C26H26N6O3S/c1-3-13-32-24(16-27-22-10-6-8-18-7-4-5-9-21(18)22)29-31-26(32)36-17(2)25(35)30-28-15-19-11-12-20(33)14-23(19)34/h3-12,14-15,17,27,33-34H,1,13,16H2,2H3,(H,30,35)/b28-15-/t17-/m0/s1
C26H26N6O3S502.5881100

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