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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 14 results

Search term: ZGOCMMMDEQOCDU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4940888

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C29H38O11/c1-15-9-21-28(11-17(15)31)13-36-25(34)24-26(3,40-24)19(32)12-35-18(16(2)30)7-5-6-8-23(33)39-20-10-22(38-21)29(14-37-29)27(20,28)4/h5-9,16-22,24,30-32H,10-14H2,1-4H3/b7-5-,8-6-/t16-,17-,18-,19+,20-,21-,22-,24-,26-,27-,28-,29+/m1/s1
C29H38O11562.60546600
10293486

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C29H38O11/c1-15-9-21-28(11-17(15)31)13-36-25(34)24-26(3,40-24)19(32)12-35-18(16(2)30)7-5-6-8-23(33)39-20-10-22(38-21)29(14-37-29)27(20,28)4/h5-9,16-22,24,30-32H,10-14H2,1-4H3/b7-5+,8-6-/t16-,17-,18-,19+,20-,21-,22-,24-,26-,27-,28-,29+/m1/s1
C29H38O11562.60546602
380494

Double-bond stereo

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C29H38O11/c1-15-9-21-28(11-17(15)31)13-36-25(34)24-26(3,40-24)19(32)12-35-18(16(2)30)7-5-6-8-23(33)39-20-10-22(38-21)29(14-37-29)27(20,28)4/h5-9,16-22,24,30-32H,10-14H2,1-4H3
C29H38O11562.60544200
4585023

Double-bond stereo

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C29H38O11/c1-15-9-21-28(11-17(15)31)13-36-25(34)24-26(3,40-24)19(32)12-35-18(16(2)30)7-5-6-8-23(33)39-20-10-22(38-21)29(14-37-29)27(20,28)4/h5-9,16-22,24,30-32H,10-14H2,1-4H3/b7-5-,8-6-
C29H38O11562.60544600
28532639

Double-bond stereo

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C29H38O11/c1-15-9-21-28(11-17(15)31)13-36-25(34)24-26(3,40-24)19(32)12-35-18(16(2)30)7-5-6-8-23(33)39-20-10-22(38-21)29(14-37-29)27(20,28)4/h5-9,16-22,24,30-32H,10-14H2,1-4H3/b7-5-,8-6-/t16-,17-,18-,19+,20-,21-,22-,24-,26-,27-,28-,29?/m1/s1
C29H38O11562.60542200
8523292

Double-bond stereo

2 of 12 defined stereocentres - 2/12 defined
InChI=1/C29H38O11/c1-15-9-21-28(11-17(15)31)13-36-25(34)24-26(3,40-24)19(32)12-35-18(16(2)30)7-5-6-8-23(33)39-20-10-22(38-21)29(14-37-29)27(20,28)4/h5-9,16-22,24,30-32H,10-14H2,1-4H3/b7-5-,8-6-/t16?,17?,18?,19?,20?,21?,22?,24?,26?,27?,28-,29-/m1/s1
C29H38O11562.60542100
21257926

Double-bond stereo

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C29H38O11/c1-15-9-21-28(11-17(15)31)13-36-25(34)24-26(3,40-24)19(32)12-35-18(16(2)30)7-5-6-8-23(33)39-20-10-22(38-21)29(14-37-29)27(20,28)4/h5-9,16-22,24,30-32H,10-14H2,1-4H3/b7-5+,8-6+
C29H38O11562.60542200
23170883

Double-bond stereo

6 of 12 defined stereocentres - 6/12 defined
InChI=1/C29H38O11/c1-15-9-21-28(11-17(15)31)13-36-25(34)24-26(3,40-24)19(32)12-35-18(16(2)30)7-5-6-8-23(33)39-20-10-22(38-21)29(14-37-29)27(20,28)4/h5-9,16-22,24,30-32H,10-14H2,1-4H3/b7-5+,8-6-/t16?,17-,18?,19?,20-,21-,22-,24?,26?,27-,28-,29?/m1/s1
C29H38O11562.60541100
10293487

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C29H38O11/c1-15-9-21-28(11-17(15)31)13-36-25(34)24-26(3,40-24)19(32)12-35-18(16(2)30)7-5-6-8-23(33)39-20-10-22(38-21)29(14-37-29)27(20,28)4/h5-9,16-22,24,30-32H,10-14H2,1-4H3/b7-5+,8-6-/t16-,17+,18+,19-,20+,21+,22+,24+,26+,27+,28+,29-/m0/s1
C29H38O11562.60541100
4572466

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C29H38O11/c1-15-9-21-28(11-17(15)31)13-36-25(34)24-26(3,40-24)19(32)12-35-18(16(2)30)7-5-6-8-23(33)39-20-10-22(38-21)29(14-37-29)27(20,28)4/h5-9,16-22,24,30-32H,10-14H2,1-4H3/b7-5-,8-6-/t16-,17-,18-,19-,20-,21-,22-,24-,26-,27-,28-,29+/m1/s1
C29H38O11562.60541100
32779070

Double-bond stereo

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C29H38O11/c1-15-9-21-28(11-17(15)31)13-36-25(34)24-26(3,40-24)19(32)12-35-18(16(2)30)7-5-6-8-23(33)39-20-10-22(38-21)29(14-37-29)27(20,28)4/h5-9,16-22,24,30-32H,10-14H2,1-4H3/b7-5+,8-6-/t16-,17-,18-,19+,20-,21-,22-,24-,26-,27?,28-,29?/m1/s1
C29H38O11562.60541100
58172734

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C29H38O11/c1-15-9-21-28(11-17(15)31)13-36-25(34)24-26(3,40-24)19(32)12-35-18(16(2)30)7-5-6-8-23(33)39-20-10-22(38-21)29(14-37-29)27(20,28)4/h5-9,16-22,24,30-32H,10-14H2,1-4H3/b7-5+,8-6?/t16-,17-,18-,19+,20-,21-,22-,24-,26-,27-,28-,29+/m1/s1
C29H38O11562.60541100
64854373

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C29H38O11/c1-15-9-21-28(11-17(15)31)13-36-25(34)24-26(3,40-24)19(32)12-35-18(16(2)30)7-5-6-8-23(33)39-20-10-22(38-21)29(14-37-29)27(20,28)4/h5-9,16-22,24,30-32H,10-14H2,1-4H3/b7-5+,8-6-/t16-,17-,18+,19+,20-,21-,22-,24-,26-,27-,28-,29+/m1/s1
C29H38O11562.60541100

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