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: BFTAFRDMRHNFKO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
65153

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H13N9O2/c11-8-7-9(16-10(12)15-8)19(3-14-7)6-1-4(17-18-13)5(2-20)21-6/h3-6,20H,1-2H2,(H4,11,12,15,16)/t4-,5+,6+/m0/s1
C10H13N9O2291.2693121100
398190

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H13N9O2/c11-8-7-9(16-10(12)15-8)19(3-14-7)6-1-4(17-18-13)5(2-20)21-6/h3-6,20H,1-2H2,(H4,11,12,15,16)/t4-,5+,6-/m0/s1
C10H13N9O2291.26936600
10441741

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C10H13N9O2/c11-8-7-9(16-10(12)15-8)19(3-14-7)6-1-4(17-18-13)5(2-20)21-6/h3-6,20H,1-2H2,(H4,11,12,15,16)
C10H13N9O2291.26933300
26612596

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H13N9O2/c11-8-7-9(16-10(12)15-8)19(3-14-7)6-1-4(17-18-13)5(2-20)21-6/h3-6,20H,1-2H2,(H4,11,12,15,16)/t4-,5+,6+/m1/s1
C10H13N9O2291.26932200
21211652

Charge

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C10H13N9O2/c11-8-7-9(16-10(12)15-8)19(3-14-7)6-1-4(17-18-13)5(2-20)21-6/h3-6,20H,1-2H2,(H4,11,12,15,16)/p+1/t4-,5+,6+/m0/s1
C10H14N9O2292.27671100

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