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
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Found 8 results

Search term: UXBPQRGCVJOTNT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
36016

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C23H31NO2.ClH/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21;/h7-16,18,22H,6,17H2,1-5H3;1H/t18-,22-;/m0./s1
C23H32ClNO2389.9587283300
34930

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C23H31NO2.ClH/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21;/h7-16,18,22H,6,17H2,1-5H3;1H
C23H32ClNO2389.95868164360
174412

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C23H31NO2.ClH/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21;/h7-16,18,22H,6,17H2,1-5H3;1H/t18-,22-;/m1./s1
C23H32ClNO2389.9586891000
31045269

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C23H31NO2.ClH/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21;/h7-16,18,22H,6,17H2,1-5H3;1H/t18-,22+;/m1./s1
C23H32ClNO2389.95878800
2304546

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C23H31NO2.ClH/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21;/h7-16,18,22H,6,17H2,1-5H3;1H/t18-,22+;/m0./s1
C23H32ClNO2389.958683400
4676685

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C23H31NO2.ClH/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21;/h7-16,18,22H,6,17H2,1-5H3;1H/t18-,22?;/m1./s1
C23H32ClNO2389.95873300
58781083

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C23H31NO2.ClH/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21;/h7-16,18,22H,6,17H2,1-5H3;1H/t18-,22+;/m1./s1/i1D3;
C23H29D3ClNO2392.97722200
58781377

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C23H31NO2.ClH/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21;/h7-16,18,22H,6,17H2,1-5H3;1H/t18-,22-;/m0./s1/i1D3;
C23H29D3ClNO2392.97722200

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