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 8 results

Search term: VJTPBNUXDULDQD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
393149

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C11H18N2O7/c1-4(14)13-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-12/h2,5-6,8-10,15-17H,3,12H2,1H3,(H,13,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1
C11H18N2O7290.2698101000
26330239

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C11H18N2O7/c1-4(14)13-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-12/h2,5-6,8-10,15-17H,3,12H2,1H3,(H,13,14)(H,18,19)/t5-,6-,8+,9+,10+/m0/s1
C11H18N2O7290.26984400
1860

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C11H18N2O7/c1-4(14)13-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-12/h2,5-6,8-10,15-17H,3,12H2,1H3,(H,13,14)(H,18,19)
C11H18N2O7290.26984200
62500523

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C11H18N2O7/c1-4(14)13-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-12/h2,5-6,8-10,15-17H,3,12H2,1H3,(H,13,14)(H,18,19)/t5-,6-,8-,9-,10+/m1/s1
C11H18N2O7290.26982200
62500524

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C11H18N2O7/c1-4(14)13-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-12/h2,5-6,8-10,15-17H,3,12H2,1H3,(H,13,14)(H,18,19)/t5-,6+,8+,9+,10-/m0/s1
C11H18N2O7290.26982200
62573843

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C11H18N2O7/c1-4(14)13-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-12/h2,5-6,8-10,15-17H,3,12H2,1H3,(H,13,14)(H,18,19)/t5-,6-,8+,9-,10+/m1/s1
C11H18N2O7290.26982200
62573844

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C11H18N2O7/c1-4(14)13-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-12/h2,5-6,8-10,15-17H,3,12H2,1H3,(H,13,14)(H,18,19)/t5-,6+,8-,9+,10-/m0/s1
C11H18N2O7290.26982200
71360800

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C11H18N2O7/c1-4(14)13-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-12/h2,5-6,8-10,15-17H,3,12H2,1H3,(H,13,14)(H,18,19)/t5-,6-,8?,9-,10+/m1/s1
C11H18N2O7290.26981100

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