Matches any text strings used to describe a molecule.
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 20 results

Search term: C25H27N9O8S2 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
40206

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15-,16-,22-/m1/s1
C25H27N9O8S2645.6674881032072569
40204

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15?,16-,22-/m1/s1
C25H27N9O8S2645.6674221900
5408847

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15-,16+,22-/m1/s1
C25H27N9O8S2645.6674151300
23977099

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C25H27N9O8S2/c1-3-31-8-9-32(21(39)20(31)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(11-44-22(16)34)10-33-25(43)30(2)28-29-33/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15-,16-,22-/m1/s1
C25H27N9O8S2645.667412700
5408849

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15-,16+,22+/m0/s1
C25H27N9O8S2645.667411520059
28594291

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C25H27N9O8S2/c1-3-31-8-9-32(21(39)20(31)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(11-44-22(16)34)10-33-25(43)30(2)28-29-33/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)
C25H27N9O8S2645.66746600
26943894

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15?,16-,22-/m0/s1
C25H27N9O8S2645.66745100
5036864

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15-,16+,22-/m0/s1
C25H27N9O8S2645.66743300
5408845

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15-,16-,22+/m0/s1
C25H27N9O8S2645.66742100
68024212

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15?,16?,22-/m1/s1
C25H27N9O8S2645.66742900
95594652

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,18,22,26,35-37H,3,8-11H2,1-2H3,(H,40,41)/b27-15+
C25H27N9O8S2645.66741100
95706359

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,19,22,35-37H,3,8-11H2,1-2H3,(H,27,42)(H,40,41)/b18-15u,26-16+
C25H27N9O8S2645.66741100
95757283

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C25H27N9O8S2/c1-3-31-8-9-32(21(39)20(31)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(11-44-22(16)34)10-33-25(43)30(2)28-29-33/h4-7,19,22,35-37H,3,8-11H2,1-2H3,(H,27,42)(H,40,41)/b18-15u,26-16+
C25H27N9O8S2645.66741100
95761864

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C25H27N9O8S2/c1-3-31-8-9-32(21(39)20(31)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(11-44-22(16)34)10-33-25(43)30(2)28-29-33/h4-7,18,22,26,35-37H,3,8-11H2,1-2H3,(H,40,41)/b27-15+
C25H27N9O8S2645.66741100
98612410

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C25H27N9O8S2/c1-3-13-8-33(21(39)19(37)26-13)24(42)28-15(11-4-6-14(35)7-5-11)18(36)27-16-20(38)34-17(23(40)41)12(9-43-22(16)34)10-44-25-29-30-31-32(25)2/h4-7,13,15-16,22,35H,3,8-10H2,1-2H3,(H,26,37)(H,27,36)(H,28,42)(H,40,41)/t13?,15-,16-,22-/m1/s1
C25H27N9O8S2645.66741100
107449882

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-16(12-4-6-13(35)7-5-12)18(36)26-17-19(37)34-15(23(40)41)10-14(44-22(17)34)11-43-25-28-29-30-31(25)2/h4-7,10,14,16-17,22,35H,3,8-9,11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t14?,16?,17-,22-/m1/s1
C25H27N9O8S2645.66741200
28423796

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25(2)28-30-31-29-25/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)
C25H27N9O8S2645.66741100
57643378

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15?,16-,22?/m1/s1
C25H27N9O8S2645.66741200
58839948

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15?,16-,22?/m0/s1
C25H27N9O8S2645.66741100

Advertisement