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
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Found 6 results

Search term: QRCDBELHMAGWQB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4660184

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H29N3O3/c1-2-31-22-12-6-11-21(18-22)28-24(29)19-23(25(28)30)27-16-14-26(15-17-27)13-7-10-20-8-4-3-5-9-20/h3-12,18,23H,2,13-17,19H2,1H3/b10-7+
C25H29N3O3419.5161221500
2142118

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H29N3O3/c1-2-31-22-12-6-11-21(18-22)28-24(29)19-23(25(28)30)27-16-14-26(15-17-27)13-7-10-20-8-4-3-5-9-20/h3-12,18,23H,2,13-17,19H2,1H3
C25H29N3O3419.516063200
945089

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C25H29N3O3/c1-2-31-22-12-6-11-21(18-22)28-24(29)19-23(25(28)30)27-16-14-26(15-17-27)13-7-10-20-8-4-3-5-9-20/h3-12,18,23H,2,13-17,19H2,1H3/b10-7+/t23-/m1/s1
C25H29N3O3419.51612100
945090

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C25H29N3O3/c1-2-31-22-12-6-11-21(18-22)28-24(29)19-23(25(28)30)27-16-14-26(15-17-27)13-7-10-20-8-4-3-5-9-20/h3-12,18,23H,2,13-17,19H2,1H3/b10-7+/t23-/m0/s1
C25H29N3O3419.51612100
5338644

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C25H29N3O3/c1-2-31-22-12-6-11-21(18-22)28-24(29)19-23(25(28)30)27-16-14-26(15-17-27)13-7-10-20-8-4-3-5-9-20/h3-12,18,23H,2,13-17,19H2,1H3/p+2/b10-7+/t23-/m1/s1
C25H31N3O3421.53081100
5338645

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C25H29N3O3/c1-2-31-22-12-6-11-21(18-22)28-24(29)19-23(25(28)30)27-16-14-26(15-17-27)13-7-10-20-8-4-3-5-9-20/h3-12,18,23H,2,13-17,19H2,1H3/p+2/b10-7+/t23-/m0/s1
C25H31N3O3421.53081100

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