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
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Found 66 results

Search term: C28H35N7O4S (Found by molecular formula)
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8135228
InChI=1/C28H35N7O4S/c1-4-17-39-24-11-10-21(40(37,38)34-15-13-33(6-3)14-16-34)18-22(24)27-30-25-23(5-2)35(32-26(25)28(36)31-27)19-20-9-7-8-12-29-20/h7-12,18H,4-6,13-17,19H2,1-3H3,(H,30,31,36)
C28H35N7O4S565.687101300
10056812

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C28H35N7O4S/c1-16-32-23(15-40-16)28(39)35-11-8-19(33-26(37)17-6-9-30-10-7-17)13-24(35)27(38)34-22(25(29)36)12-18-14-31-21-5-3-2-4-20(18)21/h2-5,14-15,17,19,22,24,30-31H,6-13H2,1H3,(H2,29,36)(H,33,37)(H,34,38)/t19-,22+,24-/m0/s1
C28H35N7O4S565.6879600
53586608

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H35N7O4S/c1-22(36)32-17-19-33(20-18-32)28(37)23-8-6-14-34(40(38,39)25-9-3-2-4-10-25)15-12-26-30-31-27(35(26)16-11-23)24-7-5-13-29-21-24/h2-5,7,9-10,13,21,23H,6,8,11-12,14-20H2,1H3
C28H35N7O4S565.6876400
8501061

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C28H35N7O4S/c1-27(2,3)21-13-15-28(16-14-21)18-34(22-9-11-23(12-10-22)40(4,38)39)26(37)35(28)17-19-5-7-20(8-6-19)24(36)29-25-30-32-33-31-25/h5-12,21H,13-18H2,1-4H3,(H2,29,30,31,32,33,36)
C28H35N7O4S565.6875400
71342866

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C28H35N7O4S/c1-20-5-6-23-17-24(20)26(36)31-25(9-16-40-2)27(37)30-10-3-13-34(28(38)21-7-11-29-12-8-21)18-22-19-35(33-32-22)14-4-15-39-23/h5-8,11-12,17,19,25H,3-4,9-10,13-16,18H2,1-2H3,(H,30,37)(H,31,36)/t25-/m0/s1
C28H35N7O4S565.6874400
71343515

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C28H35N7O4S/c1-20-7-8-23-16-24(20)26(36)31-25(9-15-40-2)27(37)30-11-4-12-34(28(38)21-6-3-10-29-17-21)18-22-19-35(33-32-22)13-5-14-39-23/h3,6-8,10,16-17,19,25H,4-5,9,11-15,18H2,1-2H3,(H,30,37)(H,31,36)/t25-/m0/s1
C28H35N7O4S565.6874400
71347712

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C28H35N7O4S/c1-20-8-9-22-17-23(20)26(36)31-24(10-16-40-2)27(37)30-12-5-13-34(28(38)25-7-3-4-11-29-25)18-21-19-35(33-32-21)14-6-15-39-22/h3-4,7-9,11,17,19,24H,5-6,10,12-16,18H2,1-2H3,(H,30,37)(H,31,36)/t24-/m0/s1
C28H35N7O4S565.6874400
23120634

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C28H35N7O4S/c1-2-3-4-5-19-34-28(37)35(33-32-34)25-12-14-26(15-13-25)40(38,39)31-24-10-8-22(9-11-24)16-18-30-21-27(36)23-7-6-17-29-20-23/h6-15,17,20,27,30-31,36H,2-5,16,18-19,21H2,1H3/t27-/m0/s1
C28H35N7O4S565.6874300
23198862

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C28H35N7O4S/c29-28(30)33-13-10-19(11-14-33)24(25(38)27-31-12-15-40-27)32-26(39)21-8-7-20-16-34(17-23(37)35(20)21)22(36)9-6-18-4-2-1-3-5-18/h1-5,12,15,19-21,24H,6-11,13-14,16-17H2,(H3,29,30)(H,32,39)/t20-,21-,24-/m0/s1
C28H35N7O4S565.6873300
23198863

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C28H35N7O4S/c29-28(30)33-13-10-19(11-14-33)24(25(38)27-31-12-15-40-27)32-26(39)21-8-7-20-16-34(17-23(37)35(20)21)22(36)9-6-18-4-2-1-3-5-18/h1-5,12,15,19-21,24H,6-11,13-14,16-17H2,(H3,29,30)(H,32,39)/t20-,21-,24+/m0/s1
C28H35N7O4S565.6873300
23243860

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C28H35N7O4S/c1-31-21(15-17-7-3-2-4-8-17)27(39)35-14-6-10-22(35)25(38)33-20(9-5-13-32-28(29)30)24(37)26-34-19-12-11-18(36)16-23(19)40-26/h2-4,7-8,11-12,16,20-22,31,36H,5-6,9-10,13-15H2,1H3,(H,33,38)(H4,29,30,32)/t20?,21-,22+/m1/s1
C28H35N7O4S565.6873300
23291323

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H35N7O4S/c1-28(2,3)39-27(36)32-12-7-13-35(40(37,38)26-8-5-6-11-31-26)23-15-22-14-21(16-29)9-10-25(22)34(18-23)19-24-17-30-20-33(24)4/h5-6,8-11,14,17,20,23H,7,12-13,15,18-19H2,1-4H3,(H,32,36)
C28H35N7O4S565.6873200
23291340

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H35N7O4S/c1-4-33(28(36)39-3)13-7-8-14-35(40(37,38)27-9-5-6-12-31-27)24-16-23-15-22(17-29)10-11-26(23)34(19-24)20-25-18-30-21-32(25)2/h5-6,9-12,15,18,21,24H,4,7-8,13-14,16,19-20H2,1-3H3
C28H35N7O4S565.6873200
26618239

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C28H35N7O4S/c1-20(36)19-33-13-15-34(16-14-33)21-9-11-24(27(17-21)39-3)30-28-29-18-22-10-12-26(35(22)31-28)23-7-5-6-8-25(23)32(2)40(4,37)38/h5-12,17-18,20,36H,13-16,19H2,1-4H3,(H,30,31)/t20-/m1/s1
C28H35N7O4S565.6873300
26620636

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C28H35N7O4S/c1-20(36)19-33-13-15-34(16-14-33)21-9-11-24(27(17-21)39-3)30-28-29-18-22-10-12-26(35(22)31-28)23-7-5-6-8-25(23)32(2)40(4,37)38/h5-12,17-18,20,36H,13-16,19H2,1-4H3,(H,30,31)/t20-/m0/s1
C28H35N7O4S565.6873300
61759602

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H35N7O4S/c1-18-17-29-26-25(18)27(30-22-8-3-4-9-24(22)40(36,37)34-19-6-5-7-19)33-28(32-26)31-21-11-10-20(16-23(21)38-2)35-12-14-39-15-13-35/h3-4,8-11,16,18-19,34H,5-7,12-15,17H2,1-2H3,(H3,29,30,31,32,33)
C28H35N7O4S565.6873400
98653777

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C28H35N7O4S/c1-18-17-29-26-25(18)27(30-22-8-3-4-9-24(22)40(36,37)34-19-6-5-7-19)33-28(32-26)31-21-11-10-20(16-23(21)38-2)35-12-14-39-15-13-35/h3-4,8-11,16,18-19,34H,5-7,12-15,17H2,1-2H3,(H3,29,30,31,32,33)/t18-/m0/s1
C28H35N7O4S565.6872200
8590936

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C28H35N7O4S/c29-28(30)33-13-10-19(11-14-33)24(25(38)27-31-12-15-40-27)32-26(39)21-8-7-20-16-34(17-23(37)35(20)21)22(36)9-6-18-4-2-1-3-5-18/h1-5,12,15,19-21,24H,6-11,13-14,16-17H2,(H3,29,30)(H,32,39)/t20-,21-,24?/m0/s1
C28H35N7O4S565.6872100
8613320
InChI=1/C28H35N7O4S/c1-4-9-23-25-26(32-35(23)19-20-10-7-8-13-29-20)28(36)31-27(30-25)22-18-21(11-12-24(22)39-6-3)40(37,38)34-16-14-33(5-2)15-17-34/h7-8,10-13,18H,4-6,9,14-17,19H2,1-3H3,(H,30,31,36)
C28H35N7O4S565.6872100
8229216

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C28H35N7O4S/c1-34(2)23-13-5-11-21-20(23)10-6-14-25(21)40(38,39)33-22(12-7-15-32-28(30)31)27(37)35-17-19-9-4-3-8-18(19)16-24(35)26(29)36/h3-6,8-11,13-14,22,24,33H,7,12,15-17H2,1-2H3,(H2,29,36)(H4,30,31,32)/t22-,24+/m0/s1
C28H35N7O4S565.6872100
1234

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