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 4 results

Search term: XOAWCMBYCSAJIM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
1133254

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C20H27BrN2O2/c1-12(2)19-8-22-10-20(13(3)4,18(19)25)11-23(9-19)17(22)15-7-14(21)5-6-16(15)24/h5-7,12-13,17,24H,8-11H2,1-4H3
C20H27BrN2O2407.3446181200
23718025

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C20H27BrN2O2/c1-12(2)19-8-22-10-20(13(3)4,18(19)25)11-23(9-19)17(22)15-7-14(21)5-6-16(15)24/h5-7,12-13,17,24H,8-11H2,1-4H3/t17?,19-,20+
C20H27BrN2O2407.34465400
32079636

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C20H27BrN2O2/c1-12(2)19-8-22-10-20(13(3)4,18(19)25)11-23(9-19)17(22)15-7-14(21)5-6-16(15)24/h5-7,12-13,17,24H,8-11H2,1-4H3/t17-,19?,20?
C20H27BrN2O2407.34462100
1392053

Charge

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C20H27BrN2O2/c1-12(2)19-8-22-10-20(13(3)4,18(19)25)11-23(9-19)17(22)15-7-14(21)5-6-16(15)24/h5-7,12-13,17,24H,8-11H2,1-4H3/p+2
C20H29BrN2O2409.35941100

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