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: WTXDZPJONNSVEH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4693742

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H32N2O7/c1-17-15-19(6-7-20(17)33-2)25(30)23-24(18-5-8-21(34-3)22(16-18)35-4)29(27(32)26(23)31)10-9-28-11-13-36-14-12-28/h5-8,15-16,24,30H,9-14H2,1-4H3/b25-23+
C27H32N2O7496.552210900
68028705

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H32N2O7/c1-17-15-19(6-7-20(17)33-2)25(30)23-24(18-5-8-21(34-3)22(16-18)35-4)29(27(32)26(23)31)10-9-28-11-13-36-14-12-28/h5-8,15-16,24,30H,9-14H2,1-4H3/b25-23-
C27H32N2O7496.55222200
2400815

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H32N2O7/c1-17-15-19(6-7-20(17)33-2)25(30)23-24(18-5-8-21(34-3)22(16-18)35-4)29(27(32)26(23)31)10-9-28-11-13-36-14-12-28/h5-8,15-16,24,30H,9-14H2,1-4H3
C27H32N2O7496.552182200
3945514

Charge

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H32N2O7/c1-17-15-19(6-7-20(17)33-2)25(30)23-24(18-5-8-21(34-3)22(16-18)35-4)29(27(32)26(23)31)10-9-28-11-13-36-14-12-28/h5-8,15-16,24,30H,9-14H2,1-4H3/p+1
C27H33N2O7497.55961100

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