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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 15 results

Search term: VMGZUMXAOXKLLT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
35466877

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C39H45NO10/c1-20-11-9-7-8-10-12-30(44)40-33-37(48)27-18-25(6)36(47)32(31(27)38(49)39(33)50)35(46)24(5)17-23(4)34(45)22(3)14-16-26(41)15-13-21(2)29(43)19-28(20)42/h7-14,16-18,20,22-23,26,28,34,41-42,45,47-48H,15,19H2,1-6H3,(H,40,44)/b8-7-,11-9-,12-10-,16-14-,21-13-,24-17-/t20-,22+,23+,26+,28+,34+/m1/s1
C39H45NO10687.77534300
303994

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C39H45NO10/c1-20-11-9-7-8-10-12-30(44)40-33-37(48)27-18-25(6)36(47)32(31(27)38(49)39(33)50)35(46)24(5)17-23(4)34(45)22(3)14-16-26(41)15-13-21(2)29(43)19-28(20)42/h7-14,16-18,20,22-23,26,28,34,41-42,45,47-48H,15,19H2,1-6H3,(H,40,44)
C39H45NO10687.77533100
4532296

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C39H45NO10/c1-20-11-9-7-8-10-12-30(44)40-33-37(48)27-18-25(6)36(47)32(31(27)38(49)39(33)50)35(46)24(5)17-23(4)34(45)22(3)14-16-26(41)15-13-21(2)29(43)19-28(20)42/h7-14,16-18,20,22-23,26,28,34,41-42,45,47-48H,15,19H2,1-6H3,(H,40,44)/b8-7-,11-9-,12-10+,16-14+,21-13-,24-17+
C39H45NO10687.77532200
4757152

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C39H45NO10/c1-20-11-9-7-8-10-12-30(44)40-33-37(48)27-18-25(6)36(47)32(31(27)38(49)39(33)50)35(46)24(5)17-23(4)34(45)22(3)14-16-26(41)15-13-21(2)29(43)19-28(20)42/h7-14,16-18,20,22-23,26,28,34,41-42,45,47-48H,15,19H2,1-6H3,(H,40,44)/b8-7-,11-9+,12-10-,16-14+,21-13+,24-17+
C39H45NO10687.77532200
4943364

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C39H45NO10/c1-20-11-9-7-8-10-12-30(44)40-33-37(48)27-18-25(6)36(47)32(31(27)38(49)39(33)50)35(46)24(5)17-23(4)34(45)22(3)14-16-26(41)15-13-21(2)29(43)19-28(20)42/h7-14,16-18,20,22-23,26,28,34,41-42,45,47-48H,15,19H2,1-6H3,(H,40,44)/b8-7-,11-9-,12-10+,16-14-,21-13+,24-17u/t20-,22-,23-,26-,28-,34-/m0/s1
C39H45NO10687.77532200
8731968

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C39H45NO10/c1-20-11-9-7-8-10-12-30(44)40-33-37(48)27-18-25(6)36(47)32(31(27)38(49)39(33)50)35(46)24(5)17-23(4)34(45)22(3)14-16-26(41)15-13-21(2)29(43)19-28(20)42/h7-14,16-18,20,22-23,26,28,34,41-42,45,47-48H,15,19H2,1-6H3,(H,40,44)/b8-7+,11-9-,12-10-,16-14-,21-13-,24-17+/t20-,22-,23-,26-,28-,34-/m0/s1/i48+2,50+2
C39H45NO818O2691.77482100
78437907

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C39H45NO10/c1-20-11-9-7-8-10-12-30(44)40-33-37(48)27-18-25(6)36(47)32(31(27)38(49)39(33)50)35(46)24(5)17-23(4)34(45)22(3)14-16-26(41)15-13-21(2)29(43)19-28(20)42/h7-14,16-18,20,22-23,26,28,34,41-42,45,47-48H,15,19H2,1-6H3,(H,40,44)/b8-7+,11-9-,12-10-,16-14+,21-13+,24-17+/t20-,22-,23-,26-,28-,34?/m0/s1
C39H45NO10687.77531100
78443191

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C39H45NO10/c1-20-11-9-7-8-10-12-30(44)40-33-37(48)27-18-25(6)36(47)32(31(27)38(49)39(33)50)35(46)24(5)17-23(4)34(45)22(3)14-16-26(41)15-13-21(2)29(43)19-28(20)42/h7-14,16-18,20,22-23,26,28,34,41-42,45,47-48H,15,19H2,1-6H3,(H,40,44)/b8-7?,11-9+,12-10-,16-14+,21-13+,24-17+/t20-,22-,23-,26-,28-,34?/m0/s1
C39H45NO10687.77531100
79715644

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C39H45NO10/c1-20-11-9-7-8-10-12-30(44)40-33-37(48)27-18-25(6)36(47)32(31(27)38(49)39(33)50)35(46)24(5)17-23(4)34(45)22(3)14-16-26(41)15-13-21(2)29(43)19-28(20)42/h7-14,16-18,20,22-23,26,28,34,41-42,45,47-48H,15,19H2,1-6H3,(H,40,44)/b8-7-,11-9-,12-10-,16-14-,21-13-,24-17-/t20-,22-,23-,26?,28-,34-/m0/s1
C39H45NO10687.77531100
79715662

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C39H45NO10/c1-20-11-9-7-8-10-12-30(44)40-33-37(48)27-18-25(6)36(47)32(31(27)38(49)39(33)50)35(46)24(5)17-23(4)34(45)22(3)14-16-26(41)15-13-21(2)29(43)19-28(20)42/h7-14,16-18,20,22-23,26,28,34,41-42,45,47-48H,15,19H2,1-6H3,(H,40,44)/b8-7-,11-9-,12-10-,16-14-,21-13-,24-17-/t20-,22+,23-,26+,28+,34+/m0/s1
C39H45NO10687.77531100
114937491

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C39H45NO10/c1-20-11-9-7-8-10-12-30(44)40-33-37(48)27-18-25(6)36(47)32(31(27)38(49)39(33)50)35(46)24(5)17-23(4)34(45)22(3)14-16-26(41)15-13-21(2)29(43)19-28(20)42/h7-14,16-18,20,22-23,26,28,34,41-42,45,47-48H,15,19H2,1-6H3,(H,40,44)/b8-7+,11-9-,12-10+,16-14+,21-13+,24-17-/t20-,22+,23+,26+,28+,34+/m1/s1
C39H45NO10687.77531100
129160519

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C39H45NO10/c1-20-11-9-7-8-10-12-30(44)40-33-37(48)27-18-25(6)36(47)32(31(27)38(49)39(33)50)35(46)24(5)17-23(4)34(45)22(3)14-16-26(41)15-13-21(2)29(43)19-28(20)42/h7-14,16-18,20,22-23,26,28,34,41-42,45,47-48H,15,19H2,1-6H3,(H,40,44)/b8-7-,11-9-,12-10?,16-14-,21-13-,24-17-/t20-,22+,23+,26+,28+,34+/m1/s1
C39H45NO10687.77531100

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