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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 19 results

Search term: C28H22N2O8S2 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
19243
InChI=1/C28H22N2O8S2/c1-15-7-9-19(23(13-15)39(33,34)35)29-21-11-12-22(30-20-10-8-16(2)14-24(20)40(36,37)38)26-25(21)27(31)17-5-3-4-6-18(17)28(26)32/h3-14,29-30H,1-2H3,(H,33,34,35)(H,36,37,38)
C28H22N2O8S2578.6129252700
4653819

Double-bond stereo
InChI=1/C28H22N2O8S2/c31-27(21-7-3-1-4-8-21)29-23-15-13-19(25(17-23)39(33,34)35)11-12-20-14-16-24(18-26(20)40(36,37)38)30-28(32)22-9-5-2-6-10-22/h1-18H,(H,29,31)(H,30,32)(H,33,34,35)(H,36,37,38)/b12-11+
C28H22N2O8S2578.6129222400
56364
InChI=1/C28H22N2O8S2/c1-15-9-11-19(23(13-15)39(33,34)35)29-21-7-3-5-17-25(21)27(31)18-6-4-8-22(26(18)28(17)32)30-20-12-10-16(2)14-24(20)40(36,37)38/h3-14,29-30H,1-2H3,(H,33,34,35)(H,36,37,38)
C28H22N2O8S2578.6129161300
10883952
InChI=1/C28H22N2O8S2/c1-37-23-9-5-4-8-21(23)30-40(35,36)18-12-14-24(38-2)22(16-18)29-28(32)17-11-13-20-26(15-17)39(33,34)25-10-6-3-7-19(25)27(20)31/h3-16,30H,1-2H3,(H,29,32)
C28H22N2O8S2578.612910800
4198000
InChI=1/C28H22N2O8S2/c1-37-25-9-5-3-7-23(25)29-39(33,34)17-11-13-19-21(15-17)27(31)20-14-12-18(16-22(20)28(19)32)40(35,36)30-24-8-4-6-10-26(24)38-2/h3-16,29-30H,1-2H3
C28H22N2O8S2578.6128799999998600
192905
InChI=1/C28H22N2O8S2/c1-15-9-11-17(13-23(15)39(33,34)35)29-21-7-3-5-19-25(21)27(31)20-6-4-8-22(26(20)28(19)32)30-18-12-10-16(2)24(14-18)40(36,37)38/h3-14,29-30H,1-2H3,(H,33,34,35)(H,36,37,38)
C28H22N2O8S2578.61296500
17945443

Double-bond stereo
InChI=1/C28H22N2O8S2/c31-25-11-1-19(2-12-25)17-29-23-9-7-21(27(15-23)39(33,34)35)5-6-22-8-10-24(16-28(22)40(36,37)38)30-18-20-3-13-26(32)14-4-20/h1-18,31-32H,(H,33,34,35)(H,36,37,38)/b6-5+,29-17+,30-18+
C28H22N2O8S2578.61294300
109089

Double-bond stereo
InChI=1/C28H22N2O8S2/c31-27(21-7-3-1-4-8-21)29-23-15-13-19(25(17-23)39(33,34)35)11-12-20-14-16-24(18-26(20)40(36,37)38)30-28(32)22-9-5-2-6-10-22/h1-18H,(H,29,31)(H,30,32)(H,33,34,35)(H,36,37,38)
C28H22N2O8S2578.61294100
145035
InChI=1/C28H22N2O8S2/c1-15-9-11-19(23(13-15)39(33,34)35)29-21-7-3-5-17-25(21)28(32)26-18(27(17)31)6-4-8-22(26)30-20-12-10-16(2)14-24(20)40(36,37)38/h3-14,29-30H,1-2H3,(H,33,34,35)(H,36,37,38)
C28H22N2O8S2578.61293300
145056
InChI=1/C28H22N2O8S2/c1-15-7-9-17(13-23(15)39(33,34)35)29-21-11-12-22(30-18-10-8-16(2)24(14-18)40(36,37)38)26-25(21)27(31)19-5-3-4-6-20(19)28(26)32/h3-14,29-30H,1-2H3,(H,33,34,35)(H,36,37,38)
C28H22N2O8S2578.61293400
5227092

Double-bond stereo
InChI=1/C28H22N2O8S2/c31-25-11-1-19(2-12-25)17-29-23-9-7-21(27(15-23)39(33,34)35)5-6-22-8-10-24(16-28(22)40(36,37)38)30-18-20-3-13-26(32)14-4-20/h1-18,29-30H,(H,33,34,35)(H,36,37,38)
C28H22N2O8S2578.61293200
5231634

Double-bond stereo
InChI=1/C28H22N2O8S2/c31-25-7-3-1-5-21(25)17-29-23-13-11-19(27(15-23)39(33,34)35)9-10-20-12-14-24(16-28(20)40(36,37)38)30-18-22-6-2-4-8-26(22)32/h1-18,29-30H,(H,33,34,35)(H,36,37,38)
C28H22N2O8S2578.61293200
90629005

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C28H22N2O8S2/c31-21-11-15-23(16-12-21)39(35,36)29-25(19-7-3-1-4-8-19)27(33)30(26(28(29)34)20-9-5-2-6-10-20)40(37,38)24-17-13-22(32)14-18-24/h1-18,25-26,31-32H
C28H22N2O8S2578.61292200
7781740

Double-bond stereo
InChI=1/C28H22N2O8S2/c31-25-7-3-1-5-21(25)17-29-23-13-11-19(27(15-23)39(33,34)35)9-10-20-12-14-24(16-28(20)40(36,37)38)30-18-22-6-2-4-8-26(22)32/h1-18,29-30H,(H,33,34,35)(H,36,37,38)/b10-9+,21-17u,22-18u
C28H22N2O8S2578.61292100
10016093

Double-bond stereo
InChI=1/C28H22N2O8S2/c31-25-7-3-1-5-21(25)17-29-23-13-11-19(27(15-23)39(33,34)35)9-10-20-12-14-24(16-28(20)40(36,37)38)30-18-22-6-2-4-8-26(22)32/h1-18,29-30H,(H,33,34,35)(H,36,37,38)/b10-9+,21-17-,22-18+
C28H22N2O8S2578.61292100
98743254

Double-bond stereo
InChI=1/C28H22N2O8S2/c31-28(18-36-20-14-15-24-25(16-20)38-19-37-24)30-29-17-23-26(39(32,33)21-8-3-1-4-9-21)12-7-13-27(23)40(34,35)22-10-5-2-6-11-22/h1-17H,18-19H2,(H,30,31)/b29-17-
C28H22N2O8S2578.61291100
111334252

Double-bond stereo
InChI=1/C28H22N2O8S2/c31-25-7-3-1-5-21(25)17-29-23-13-11-19(27(15-23)39(33,34)35)9-10-20-12-14-24(16-28(20)40(36,37)38)30-18-22-6-2-4-8-26(22)32/h1-18,31-32H,(H,33,34,35)(H,36,37,38)/b10-9+,29-17-,30-18+
C28H22N2O8S2578.61291100
35262671

Double-bond stereo
InChI=1/C28H22N2O8S2/c31-25-11-1-19(2-12-25)17-29-23-9-7-21(27(15-23)39(33,34)35)5-6-22-8-10-24(16-28(22)40(36,37)38)30-18-20-3-13-26(32)14-4-20/h1-18,31-32H,(H,33,34,35)(H,36,37,38)
C28H22N2O8S2578.61291100
5391855

Charge
InChI=1/C28H24N2O8S2/c1-17-3-9-21(10-4-17)39(35,36)29-25-13-7-19(15-23(25)27(31)32)20-8-14-26(24(16-20)28(33)34)30-40(37,38)22-11-5-18(2)6-12-22/h3-16,29-30H,1-2H3,(H,31,32)(H,33,34)/p-2
C28H22N2O8S2578.6141100

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