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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
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Found 1397 results

Search term: C33H34N4O3 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
34979947

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C33H34N4O3/c1-20-17-37(18-21(2)40-20)19-23-6-4-22(5-7-23)8-12-29-26-11-9-24(14-31(26)36-35-29)28-16-33(28)27-15-25(39-3)10-13-30(27)34-32(33)38/h4-15,20-21,28H,16-19H2,1-3H3,(H,34,38)(H,35,36)/b12-8+/t20-,21+,28-,33-/m0/s1
C33H34N4O3534.6481323200
4470671

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C33H34N4O3/c38-30-29(35-32(40)34-25-9-3-1-4-10-25)31(39)37(26-11-5-2-6-12-26)28-14-8-7-13-27(28)36(30)21-33-18-22-15-23(19-33)17-24(16-22)20-33/h1-14,22-24,29H,15-21H2,(H2,34,35,40)/t22?,23?,24?,29-,33?/m1/s1
C33H34N4O3534.64806221900
4075168

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C33H34N4O3/c1-39-30-14-13-25(21-31(30)40-2)26-19-28-27(29(38)20-26)22-34-33(35-28)37-17-15-36(16-18-37)32(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-14,21-22,26,32H,15-20H2,1-2H3
C33H34N4O3534.648059999999211200
4470914

InChI=1/C33H34N4O3/c1-4-36-15-12-33(13-16-36)20-39-30-18-25-11-14-37(29(25)19-28(30)33)32(38)24-7-5-23(6-8-24)27-10-9-26(17-21(27)2)31-35-34-22(3)40-31/h5-10,17-19H,4,11-16,20H2,1-3H3
C33H34N4O3534.648059999999191800
7950724

Double-bond stereo
InChI=1/C33H34N4O3/c1-3-4-20-40-27-18-14-24(15-19-27)31-21-29(28-10-5-6-11-30(28)35-31)33(39)37-36-22(2)23-12-16-26(17-13-23)34-32(38)25-8-7-9-25/h5-6,10-19,21,25H,3-4,7-9,20H2,1-2H3,(H,34,38)(H,37,39)/b36-22+
C33H34N4O3534.6481181500
10381282

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C33H34N4O3/c1-7-19-15(3)23-12-25-17(5)21(9-10-30(39)40)32(36-25)22-11-29(38)31-18(6)26(37-33(22)31)14-28-20(8-2)16(4)24(35-28)13-27(19)34-23/h7,12-14,17,21,34,37H,1,8-11H2,2-6H3,(H,39,40)/b23-12-,24-13-,25-12-,26-14-,27-13-,28-14-,32-22-/t17-,21-/m0/s1
C33H34N4O3534.6481187700
892258
InChI=1/C33H34N4O3/c1-24-13-17-26(18-14-24)33(40,27-19-15-25(2)16-20-27)32(39)35-37(28-10-5-3-6-11-28)31(38)29-12-9-21-34-30(29)36-22-7-4-8-23-36/h3,5-6,9-21,40H,4,7-8,22-23H2,1-2H3,(H,35,39)
C33H34N4O3534.6481171100
4699517
InChI=1/C33H34N4O3/c1-3-40-29-14-13-23(19-30(29)39-2)31-32-26(25-11-7-8-12-27(25)35-32)20-28(36-31)33(38)34-24-15-17-37(18-16-24)21-22-9-5-4-6-10-22/h4-14,19-20,24,35H,3,15-18,21H2,1-2H3,(H,34,38)
C33H34N4O3534.648115900
4865691

Double-bond stereo
InChI=1/C33H34N4O3/c1-3-5-6-10-21-40-31-17-13-25(14-18-31)32-27(24-37(36-32)29-11-8-7-9-12-29)22-26(23-34)33(38)35-28-15-19-30(20-16-28)39-4-2/h7-9,11-20,22,24H,3-6,10,21H2,1-2H3,(H,35,38)/b26-22+
C33H34N4O3534.648114900
7870252

Double-bond stereo
InChI=1/C33H34N4O3/c1-4-37(5-2)27-19-16-24(17-20-27)22-30(35-32(38)26-13-8-7-9-14-26)33(39)36-34-23-29-28-15-11-10-12-25(28)18-21-31(29)40-6-3/h7-23H,4-6H2,1-3H3,(H,35,38)(H,36,39)/b30-22-,34-23+
C33H34N4O3534.6481141000
17465209

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C33H34N4O3/c1-40-25-11-7-10-23(18-25)32-31-27(26-12-5-6-13-28(26)34-31)19-29-33(39)36(21-30(38)37(29)32)24-14-16-35(17-15-24)20-22-8-3-2-4-9-22/h2-13,18,24,29,32,34H,14-17,19-21H2,1H3/t29-,32?/m0/s1
C33H34N4O3534.6481141100
17465989

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C33H34N4O3/c1-40-29-14-8-6-12-25(29)32-31-26(24-11-5-7-13-27(24)34-31)19-28-33(39)36(21-30(38)37(28)32)23-15-17-35(18-16-23)20-22-9-3-2-4-10-22/h2-14,23,28,32,34H,15-21H2,1H3/t28-,32?/m0/s1
C33H34N4O3534.6481141100
2046928

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C33H34N4O3/c1-33(2,3)23-11-13-24(14-12-23)40-25-9-6-8-22(17-25)27-18-28(38)29(32(39)31(27)37-20-34-19-36-37)30-26-10-5-4-7-21(26)15-16-35-30/h4-14,17,19-20,27,29-31,35H,15-16,18H2,1-3H3
C33H34N4O3534.64805999999912900
21830497

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C33H34N4O3/c1-40-25-13-11-23(12-14-25)32-31-27(26-9-5-6-10-28(26)34-31)19-29-33(39)36(21-30(38)37(29)32)24-15-17-35(18-16-24)20-22-7-3-2-4-8-22/h2-14,24,29,32,34H,15-21H2,1H3/t29-,32?/m0/s1
C33H34N4O3534.648112700
17469970

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C33H34N4O3/c1-4-5-18-34-31(38)24-11-7-9-13-27(24)37-32(39)28-19-25-23-10-6-8-12-26(23)35-29(25)30(36(28)33(37)40)22-16-14-21(15-17-22)20(2)3/h6-17,20,28,30,35H,4-5,18-19H2,1-3H3,(H,34,38)/t28-,30?/m0/s1
C33H34N4O3534.648112900
17470611

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C33H34N4O3/c1-20(2)18-27(31(38)34-17-16-21-10-4-3-5-11-21)36-32(39)28-19-25-22-12-8-9-15-26(22)35-29(25)30-23-13-6-7-14-24(23)33(40)37(28)30/h3-15,20,27-28,30,35H,16-19H2,1-2H3,(H,34,38)(H,36,39)/t27-,28-,30?/m0/s1
C33H34N4O3534.648111800
17470644

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C33H34N4O3/c1-19(2)16-27(31(38)34-18-21-14-12-20(3)13-15-21)36-32(39)28-17-25-22-8-6-7-11-26(22)35-29(25)30-23-9-4-5-10-24(23)33(40)37(28)30/h4-15,19,27-28,30,35H,16-18H2,1-3H3,(H,34,38)(H,36,39)/t27-,28-,30?/m0/s1
C33H34N4O3534.648111800
17467538

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C33H34N4O3/c1-21(2)28(30(38)34-20-26(22-12-6-4-7-13-22)23-14-8-5-9-15-23)37-31(39)33(3)29-25(18-19-36(33)32(37)40)24-16-10-11-17-27(24)35-29/h4-17,21,26,28,35H,18-20H2,1-3H3,(H,34,38)/t28-,33-/m0/s1
C33H34N4O3534.648111800
17469911

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C33H34N4O3/c1-19(2)18-34-31(38)24-10-6-8-12-27(24)37-32(39)28-17-25-23-9-5-7-11-26(23)35-29(25)30(36(28)33(37)40)22-15-13-21(14-16-22)20(3)4/h5-16,19-20,28,30,35H,17-18H2,1-4H3,(H,34,38)/t28-,30?/m0/s1
C33H34N4O3534.648111800
17471174

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C33H34N4O3/c1-20(2)16-17-34-31(38)27(18-21-10-4-3-5-11-21)36-32(39)28-19-25-22-12-8-9-15-26(22)35-29(25)30-23-13-6-7-14-24(23)33(40)37(28)30/h3-15,20,27-28,30,35H,16-19H2,1-2H3,(H,34,38)(H,36,39)/t27-,28-,30?/m0/s1
C33H34N4O3534.648110800
12345

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