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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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Isotopically Labeled
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Found 27 results

Search term: C30H28N6O6S4 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9832425

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C30H28N6O6S4/c1-33-21(39)27-11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,13-37)45-43-27)26-12-28-22(40)34(2)30(14-38,46-44-28)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h3-10,19-20,31-32,37-38H,11-14H2,1-2H3/t19-,20-,25+,26+,27+,28+,29+,30+/m1/s1
C30H28N6O6S4696.8399343100
141930

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C30H28N6O6S4/c1-33-21(39)27-11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,13-37)45-43-27)26-12-28-22(40)34(2)30(14-38,46-44-28)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h3-10,19-20,31-32,37-38H,11-14H2,1-2H3
C30H28N6O6S4696.8399171000
32697772

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C30H28N6O6S4/c1-25-21(39)35-19-27(13-9-5-7-11-15(13)31-19,17(37)29(35,45-43-25)23(41)33(25)3)28-14-10-6-8-12-16(14)32-20(28)36-22(40)26(2)34(4)24(42)30(36,18(28)38)46-44-26/h5-12,17-20,31-32,37-38H,1-4H3/t17-,18-,19+,20+,25-,26-,27+,28+,29-,30-/m0/s1
C30H28N6O6S4696.83997800
45743349

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C30H28N6O6S4/c1-33-21(39)27-11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,13-37)45-43-27)26-12-28-22(40)34(2)30(14-38,46-44-28)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h3-10,19-20,31-32,37-38H,11-14H2,1-2H3/t19-,20-,25+,26+,27+,28?,29+,30?/m1/s1
C30H28N6O6S4696.83996600
171477

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C30H28N6O6S4/c1-25-21(39)35-19-27(13-9-5-7-11-15(13)31-19,17(37)29(35,45-43-25)23(41)33(25)3)28-14-10-6-8-12-16(14)32-20(28)36-22(40)26(2)34(4)24(42)30(36,18(28)38)46-44-26/h5-12,17-20,31-32,37-38H,1-4H3
C30H28N6O6S4696.83995500
4536083

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C30H28N6O6S4/c1-33-21(39)27-11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,13-37)45-43-27)26-12-28-22(40)34(2)30(14-38,46-44-28)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h3-10,19-20,31-32,37-38H,11-14H2,1-2H3/t19-,20-,25+,26+,27+,28+,29-,30-/m1/s1
C30H28N6O6S4696.83994400
25050580

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C30H28N6O6S4/c1-33-21(39)27-11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,13-37)45-43-27)26-12-28-22(40)34(2)30(14-38,46-44-28)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h3-10,19-20,31-32,37-38H,11-14H2,1-2H3/t19-,20-,25+,26+,27+,28+,29+,30+/m0/s1
C30H28N6O6S4696.83993300
88298724

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C30H28N6O6S4/c1-27-23(39)35-21-18(20(38)29(35,45-43-27)25(41)32(27)3)17-13(31-21)9-7-11-15(17)34-14-10-6-5-8-12(14)16-19(37)30-26(42)33(4)28(2,44-46-30)24(40)36(30)22(16)34/h5-11,16,18-22,31,37-38H,1-4H3/t16?,18-,19+,20?,21-,22-,27+,28+,29+,30+/m1/s1
C30H28N6O6S4696.83993300
68027317

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C30H28N6O6S4/c1-25-21(39)36-20-29(15-9-5-7-11-17(15)32-20,18(38)30(36,46-43-25)24(42)33(25)2)26-12-27-22(40)34(3)28(13-37,45-44-27)23(41)35(27)19(26)31-16-10-6-4-8-14(16)26/h4-11,18-20,31-32,37-38H,12-13H2,1-3H3/t18?,19-,20+,25+,26+,27+,28+,29+,30+/m1/s1
C30H28N6O6S4696.83992200
8276741

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C30H28N6O6S4/c1-25-21(39)35-19-27(13-9-5-7-11-15(13)31-19,17(37)29(35,45-43-25)23(41)33(25)3)28-14-10-6-8-12-16(14)32-20(28)36-22(40)26(2)34(4)24(42)30(36,18(28)38)46-44-26/h5-12,17-20,31-32,37-38H,1-4H3/t17-,18-,19+,20+,25+,26+,27?,28?,29-,30-/m0/s1
C30H28N6O6S4696.83992100
9738623

4 of 8 defined stereocentres - 4/8 defined
InChI=1/C30H28N6O6S4/c1-33-21(39)27-11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,13-37)45-43-27)26-12-28-22(40)34(2)30(14-38,46-44-28)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h3-10,19-20,31-32,37-38H,11-14H2,1-2H3/t19-,20-,25?,26?,27?,28?,29-,30-/m1/s1
C30H28N6O6S4696.83992100
9825286

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C30H28N6O6S4/c1-25-21(39)35-19-27(13-9-5-7-11-15(13)31-19,17(37)29(35,45-43-25)23(41)33(25)3)28-14-10-6-8-12-16(14)32-20(28)36-22(40)26(2)34(4)24(42)30(36,18(28)38)46-44-26/h5-12,17-20,31-32,37-38H,1-4H3/t17-,18-,19+,20+,25+,26+,27+,28+,29-,30-/m0/s1
C30H28N6O6S4696.83992100
3263868
InChI=1/C30H28N6O6S4/c37-27(33-29-31-23-11-9-21(17-25(23)43-29)45(39,40)35-13-1-2-14-35)19-5-7-20(8-6-19)28(38)34-30-32-24-12-10-22(18-26(24)44-30)46(41,42)36-15-3-4-16-36/h5-12,17-18H,1-4,13-16H2,(H,31,33,37)(H,32,34,38)
C30H28N6O6S4696.83992100
16736089

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C30H28N6O6S4/c1-25-21(39)35-19-27(13-9-5-7-11-15(13)31-19,17(37)29(35,45-43-25)23(41)33(25)3)28-14-10-6-8-12-16(14)32-20(28)36-22(40)26(2)34(4)24(42)30(36,18(28)38)46-44-26/h5-12,17-20,31-32,37-38H,1-4H3/t17-,18+,19+,20-,25-,26+,27-,28-,29-,30+/m1/s1
C30H28N6O6S4696.83992258
24713137

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C30H28N6O6S4/c1-25-21(39)35-19-27(13-9-5-7-11-15(13)31-19,17(37)29(35,45-43-25)23(41)33(25)3)28-14-10-6-8-12-16(14)32-20(28)36-22(40)26(2)34(4)24(42)30(36,18(28)38)46-44-26/h5-12,17-20,31-32,37-38H,1-4H3/t17-,18-,19+,20+,25-,26+,27+,28+,29-,30-/m0/s1
C30H28N6O6S4696.83992200
28287595

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C30H28N6O6S4/c1-33-21(39)27-11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,13-37)45(27)43)26-12-28-22(40)34(2)30(14-38,46(28)44)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h3-10,19-20,31-32,37-38H,11-14H2,1-2H3/t19-,20-,25+,26+,27+,28+,29+,30+,45?,46?/m1/s1
C30H28N6O6S4696.83991200
28288159

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C30H28N6O6S4/c1-33-21(39)27-11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,13-37)45-43-27)26-12-28-22(40)34(2)30(14-38,46-44-28)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h3-10,19-20,31-32,37-38H,11-14H2,1-2H3/t19-,20?,25+,26+,27+,28+,29+,30+/m1/s1
C30H28N6O6S4696.83991100
114550525

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C30H28N6O6S4/c1-32-23(39)27-11-16-20-17(31-21(16)35(27)25(41)29(32,12-37)45-43-27)7-5-9-19(20)34-18-8-4-3-6-14(18)15-10-28-24(40)33(2)30(13-38,46-44-28)26(42)36(28)22(15)34/h3-9,15-16,21-22,31,37-38H,10-13H2,1-2H3/t15?,16-,21-,22-,27?,28+,29+,30+/m1/s1
C30H28N6O6S4696.83991100
117032578

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C30H28N6O6S4/c1-25-21(39)35-19-27(13-9-5-7-11-15(13)31-19,17(37)29(35,45-43-25)23(41)33(25)3)28-14-10-6-8-12-16(14)32-20(28)36-22(40)26(2)34(4)24(42)30(36,18(28)38)46-44-26/h5-12,17-20,31-32,37-38H,1-4H3/t17-,18-,19+,20+,25-,26-,27-,28-,29-,30-/m0/s1
C30H28N6O6S4696.83991100
12

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