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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 10 results

Search term: JNHPUZURWFYYHW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
19968656

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C25H33NO4.ClH/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24;/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3;1H/t17-,18-,21-,22-,23-,24+,25-;/m1./s1
C25H34ClNO4447.994887290
55581

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C25H33NO4.ClH/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24;/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3;1H/t17?,18-,21?,22?,23-,24+,25?;/m1./s1
C25H34ClNO4447.994764300
10696622

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C25H33NO4.ClH/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24;/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3;1H
C25H34ClNO4447.994842600
26641822

2 of 7 defined stereocentres - 2/7 defined
InChI=1/C25H33NO4.ClH/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24;/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3;1H/t17?,18-,21?,22?,23?,24+,25?;/m1./s1
C25H34ClNO4447.99483200
32698533

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C25H33NO4.ClH/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24;/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3;1H/t17-,18-,21-,22-,23-,24+,25+;/m1./s1
C25H34ClNO4447.99482200
67492474

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C25H33NO4.ClH/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24;/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3;1H/t17-,18+,21+,22-,23+,24-,25+;/m0./s1
C25H34ClNO4447.99481100
9894024

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C25H33NO4.ClH/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24;/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3;1H/t17?,18-,21-,22+,23-,24+,25-;/m1./s1
C25H34ClNO4447.99481100
30062662

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C25H33NO4.ClH/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24;/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3;1H/t17?,18-,21-,22?,23-,24+,25-;/m1./s1
C25H34ClNO4447.99481100
30062663

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C25H33NO4.ClH/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24;/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3;1H/t17-,18-,21-,22?,23-,24+,25-;/m1./s1
C25H34ClNO4447.99481100
30062664

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C25H33NO4.ClH/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24;/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3;1H/t17-,18-,21-,22-,23-,24+,25-;/m0./s1
C25H34ClNO4447.99481100

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