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 7 results

Search term: XACOJSKEQRDALU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17465773

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C26H46N2O3/c1-4-6-13-28(14-7-5-2)15-9-12-27-18-21-20-16-23-25(3,17-22(20)31-24(21)29)10-8-11-26(23)19-30-26/h20-23,27H,4-19H2,1-3H3/t20-,21?,22-,23-,25-,26?/m1/s1
C26H46N2O3434.6558600
10050016

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C26H46N2O3/c1-4-6-13-28(14-7-5-2)15-9-12-27-18-21-20-16-23-25(3,17-22(20)31-24(21)29)10-8-11-26(23)19-30-26/h20-23,27H,4-19H2,1-3H3/t20-,21-,22-,23-,25-,26+/m1/s1
C26H46N2O3434.6552100
3070549

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C26H46N2O3/c1-4-6-13-28(14-7-5-2)15-9-12-27-18-21-20-16-23-25(3,17-22(20)31-24(21)29)10-8-11-26(23)19-30-26/h20-23,27H,4-19H2,1-3H3
C26H46N2O3434.6552100
10050014

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C26H46N2O3/c1-4-6-13-28(14-7-5-2)15-9-12-27-18-21-20-16-23-25(3,17-22(20)31-24(21)29)10-8-11-26(23)19-30-26/h20-23,27H,4-19H2,1-3H3/t20-,21-,22-,23-,25-,26-/m1/s1
C26H46N2O3434.6552100
10050015

Charge

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C26H46N2O3/c1-4-6-13-28(14-7-5-2)15-9-12-27-18-21-20-16-23-25(3,17-22(20)31-24(21)29)10-8-11-26(23)19-30-26/h20-23,27H,4-19H2,1-3H3/p+2/t20-,21-,22-,23-,25-,26+/m1/s1
C26H48N2O3436.66981100
4159515

Charge

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C26H46N2O3/c1-4-6-13-28(14-7-5-2)15-9-12-27-18-21-20-16-23-25(3,17-22(20)31-24(21)29)10-8-11-26(23)19-30-26/h20-23,27H,4-19H2,1-3H3/p+1
C26H47N2O3435.6629800000011100
10050013

Charge

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C26H46N2O3/c1-4-6-13-28(14-7-5-2)15-9-12-27-18-21-20-16-23-25(3,17-22(20)31-24(21)29)10-8-11-26(23)19-30-26/h20-23,27H,4-19H2,1-3H3/p+2/t20-,21-,22-,23-,25-,26-/m1/s1
C26H48N2O3436.66981100

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