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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
Additional Filters

Found 13 results

Search term: DVXZVCNEGRKLMW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9823876

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C32H45NO4/c1-19-8-6-9-29-32(13-7-15-33-29)14-12-25(28-18-22(4)31(35)37-28)23(5)26(32)17-20(2)27(34)11-10-24-16-21(3)30(19)36-24/h8,17-18,21,24,26-28,30,34H,6-7,9-16H2,1-5H3/b19-8+,20-17+/t21-,24-,26+,27+,28+,30+,32+/m1/s1
C32H45NO4507.7041213017
8611700

Double-bond stereo

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C32H45NO4/c1-19-8-6-9-29-32(13-7-15-33-29)14-12-25(28-18-22(4)31(35)37-28)23(5)26(32)17-20(2)27(34)11-10-24-16-21(3)30(19)36-24/h8,17-18,21,24,26-28,30,34H,6-7,9-16H2,1-5H3/b19-8+,20-17+
C32H45NO4507.7045400
64854205

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C32H45NO4/c1-19-8-6-9-29-32(13-7-15-33-29)14-12-25(28-18-22(4)31(35)37-28)23(5)26(32)17-20(2)27(34)11-10-24-16-21(3)30(19)36-24/h8,17-18,21,24,26-28,30,34H,6-7,9-16H2,1-5H3/b19-8+,20-17+/t21-,24-,26+,27+,28+,30?,32?/m1/s1
C32H45NO4507.7044400
88294909

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C32H45NO4/c1-19-8-6-9-29-32(13-7-15-33-29)14-12-25(28-18-22(4)31(35)37-28)23(5)26(32)17-20(2)27(34)11-10-24-16-21(3)30(19)36-24/h8,17-18,21,24,26-28,30,34H,6-7,9-16H2,1-5H3/b19-8+,20-17+/t21-,24-,26+,27+,28+,30?,32+/m1/s1
C32H45NO4507.7043200
32698369

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C32H45NO4/c1-19-8-6-9-29-32(13-7-15-33-29)14-12-25(28-18-22(4)31(35)37-28)23(5)26(32)17-20(2)27(34)11-10-24-16-21(3)30(19)36-24/h8,17-18,21,24,26-28,30,34H,6-7,9-16H2,1-5H3/b19-8-,20-17-/t21-,24-,26+,27+,28+,30+,32+/m1/s1
C32H45NO4507.7042200
52083085

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C32H45NO4/c1-19-8-6-9-29-32(13-7-15-33-29)14-12-25(28-18-22(4)31(35)37-28)23(5)26(32)17-20(2)27(34)11-10-24-16-21(3)30(19)36-24/h8,17-18,21,24,26-28,30,34H,6-7,9-16H2,1-5H3/b19-8-,20-17-/t21-,24-,26+,27+,28+,30+,32?/m1/s1
C32H45NO4507.7042100
59696902

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C32H45NO4/c1-19-8-6-9-29-32(13-7-15-33-29)14-12-25(28-18-22(4)31(35)37-28)23(5)26(32)17-20(2)27(34)11-10-24-16-21(3)30(19)36-24/h8,17-18,21,24,26-28,30,34H,6-7,9-16H2,1-5H3/b19-8+,20-17+/t21-,24-,26+,27+,28+,30?,32?/m0/s1
C32H45NO4507.7041100
25077144

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C32H45NO4/c1-19-8-6-9-29-32(13-7-15-33-29)14-12-25(28-18-22(4)31(35)37-28)23(5)26(32)17-20(2)27(34)11-10-24-16-21(3)30(19)36-24/h8,17-18,21,24,26-28,30,34H,6-7,9-16H2,1-5H3/b19-8+,20-17+/t21-,24-,26+,27+,28+,30-,32+/m1/s1
C32H45NO4507.704113217
30790885

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C32H45NO4/c1-19-8-6-9-29-32(13-7-15-33-29)14-12-25(28-18-22(4)31(35)37-28)23(5)26(32)17-20(2)27(34)11-10-24-16-21(3)30(19)36-24/h8,17-18,21,24,26-28,30,34H,6-7,9-16H2,1-5H3/b19-8+,20-17-/t21-,24-,26+,27+,28+,30+,32+/m1/s1
C32H45NO4507.7041100
95600815

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C32H45NO4/c1-19-8-6-9-29-32(13-7-15-33-29)14-12-25(28-18-22(4)31(35)37-28)23(5)26(32)17-20(2)27(34)11-10-24-16-21(3)30(19)36-24/h8,17-18,21,24,26-28,30,34H,6-7,9-16H2,1-5H3/b19-8+,20-17+/t21-,24-,26+,27+,28+,30+,32-/m1/s1
C32H45NO4507.7041100
103882599

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C32H45NO4/c1-19-8-6-9-29-32(13-7-15-33-29)14-12-25(28-18-22(4)31(35)37-28)23(5)26(32)17-20(2)27(34)11-10-24-16-21(3)30(19)36-24/h8,17-18,21,24,26-28,30,34H,6-7,9-16H2,1-5H3/b19-8+,20-17-/t21-,24+,26+,27+,28+,30-,32+/m1/s1
C32H45NO4507.7041100
75548958

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C32H45NO4/c1-19-8-6-9-29-32(13-7-15-33-29)14-12-25(28-18-22(4)31(35)37-28)23(5)26(32)17-20(2)27(34)11-10-24-16-21(3)30(19)36-24/h8,17-18,21,24,26-28,30,34H,6-7,9-16H2,1-5H3/b19-8-,20-17+/t21-,24-,26+,27+,28+,30+,32+/m1/s1
C32H45NO4507.7041100

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