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: SPCDOHZKMWYXLQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3494465

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C21H27N7O5/c1-3-12-4-6-13(7-5-12)32-9-11(2)26-27-21-25-15-18(22)23-10-24-19(15)28(21)20-17(31)16(30)14(8-29)33-20/h4-7,10,14,16-17,20,29-31H,3,8-9H2,1-2H3,(H,25,27)(H2,22,23,24)
C21H27N7O5457.482982100
17540732

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C21H27N7O5/c1-3-12-4-6-13(7-5-12)32-9-11(2)26-27-21-25-15-18(22)23-10-24-19(15)28(21)20-17(31)16(30)14(8-29)33-20/h4-7,10,14,16-17,20,29-31H,3,8-9H2,1-2H3,(H,25,27)(H2,22,23,24)/b26-11+
C21H27N7O5457.4832100
62472692

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H27N7O5/c1-3-12-4-6-13(7-5-12)32-9-11(2)26-27-21-25-15-18(22)23-10-24-19(15)28(21)20-17(31)16(30)14(8-29)33-20/h4-7,10,14,16-17,20,29-31H,3,8-9H2,1-2H3,(H,25,27)(H2,22,23,24)/b26-11+/t14-,16+,17+,20+/m0/s1
C21H27N7O5457.4832200
62495800

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H27N7O5/c1-3-12-4-6-13(7-5-12)32-9-11(2)26-27-21-25-15-18(22)23-10-24-19(15)28(21)20-17(31)16(30)14(8-29)33-20/h4-7,10,14,16-17,20,29-31H,3,8-9H2,1-2H3,(H,25,27)(H2,22,23,24)/b26-11+/t14-,16+,17+,20-/m0/s1
C21H27N7O5457.4832200
62566471

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H27N7O5/c1-3-12-4-6-13(7-5-12)32-9-11(2)26-27-21-25-15-18(22)23-10-24-19(15)28(21)20-17(31)16(30)14(8-29)33-20/h4-7,10,14,16-17,20,29-31H,3,8-9H2,1-2H3,(H,25,27)(H2,22,23,24)/b26-11+/t14-,16+,17-,20+/m0/s1
C21H27N7O5457.4832200
62384096

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C21H27N7O5/c1-3-12-4-6-13(7-5-12)32-9-11(2)26-27-21-25-15-18(22)23-10-24-19(15)28(21)20-17(31)16(30)14(8-29)33-20/h4-7,10,14,16-17,20,29-31H,3,8-9H2,1-2H3,(H,25,27)(H2,22,23,24)/b26-11+/t14-,16+,17-,20-/m0/s1
C21H27N7O5457.4831100

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