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 35 results

Search term: C28H47NO4S (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
571196

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24+,25+,26-,27+,28+/m1/s1
C28H47NO4S493.7421525700
16736199

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19?,20-,22+,24-,25-,26+,27?,28-/m0/s1
C28H47NO4S493.7421161400
28637990

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24+,25+,26-,27-,28-/m1/s1
C28H47NO4S493.7421162000
391759

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19?,20-,22+,24-,25-,26+,27-,28-/m0/s1
C28H47NO4S493.7421141100
26943870

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24?,25+,26-,27-,28+/m1/s1
C28H47NO4S493.74219400
28475378

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24+,25+,26-,27-,28+/m1/s1
C28H47NO4S493.74219700
29768609

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C28H47NO4S/c1-17(4-7-25(33)29-10-12-34-13-11-29)20-5-6-21-26-22(16-24(32)28(20,21)3)27(2)9-8-19(30)14-18(27)15-23(26)31/h17-24,26,30-32H,4-16H2,1-3H3/t17-,18+,19-,20-,21+,22+,23-,24+,26+,27+,28-/m1/s1
C28H47NO4S493.74217500
3712921

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3
C28H47NO4S493.742080000001619200
58822

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24+,25+,26-,27?,28?/m1/s1
C28H47NO4S493.74215300
10310822

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24-,25+,26-,27+,28+/m1/s1
C28H47NO4S493.74214300
8002786

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19?,20-,22+,24-,25-,26+,27+,28-/m0/s1
C28H47NO4S493.74214200
8588825

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C28H47NO4S/c1-21(2)15-16-26(30)33-25-19-22-17-18-28(25,27(22,3)4)20-34(31,32)29(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h15-16,21-25H,5-14,17-20H2,1-4H3/b16-15+/t22-,25-,28-/m1/s1
C28H47NO4S493.74212100
9202596

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C28H47NO4S/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-17-24(5)18-19-34-20-25(26(30)31)29-27(32)33-28(6,7)8/h12,14,16,18,25H,9-11,13,15,17,19-20H2,1-8H3,(H,29,32)(H,30,31)/b22-14+,23-16+,24-18+/t25-/m0/s1
C28H47NO4S493.74212100
9515813

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C28H47NO4S/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-26-27(33-28(2,3)32-26)25-23-31-34(30)29(25)22-24-19-16-15-17-20-24/h15-17,19-20,25-27H,4-14,18,21-23H2,1-3H3/t25-,26+,27-,34?/m0/s1
C28H47NO4S493.74212100
13096538

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24?,25+,26-,27+,28?/m1/s1
C28H47NO4S493.74212200
37767

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24-,25+,26-,27?,28?/m1/s1
C28H47NO4S493.74212100
32697359

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20-,22+,24-,25-,26+,27+,28-/m0/s1
C28H47NO4S493.74212100
64855046

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19?,20-,22+,24-,25-,26+,27+,28+/m0/s1
C28H47NO4S493.74212200
103533163
InChI=1/C28H47NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-24-28(30)29(25-20-15-14-16-21-25)26-22-18-19-23-27(26)34(31,32)33/h18-19,22-23,25H,2-17,20-21,24H2,1H3,(H,31,32,33)
C28H47NO4S493.74211100
26582984
InChI=1/C28H47NO4S/c1-20-21(2)26(33-27(31)28(5,6)7)24(22(3)25(20)32-9)16-18-29(8)17-14-12-10-11-13-15-19-34-23(4)30/h10-19H2,1-9H3
C28H47NO4S493.74211200
12

Advertisement