CAS 145613-12-3 | 4-Thiazolecarboxylic acid, 4,5-dihydro-2-[6-(phosphonooxy)-2-benzothiazolyl]-, trisodium salt, (S)- (9CI) | CAS Number 145613-12-3

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145613-12-3 | 4-Thiazolecarboxylic acid, 4,5-dihydro-2-[6-(phosphonooxy)-2-benzothiazolyl]-, trisodium salt, (S)- (9CI)

CAS No: 145613-12-3 Catalog No: AG001D89 MDL No:

Product Description

Catalog Number:

AG001D89

Chemical Name:

4-Thiazolecarboxylic acid, 4,5-dihydro-2-[6-(phosphonooxy)-2-benzothiazolyl]-, trisodium salt, (S)- (9CI)

CAS Number:

145613-12-3

Molecular Formula:

C33H24N6Na3O18P3S6

Molecular Weight:

1146.8537

IUPAC Name:

trisodium;(4S)-2-(6-phosphonatooxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate

InChI:

InChI=1S/C11H9N2O6PS2.3Na/c14-11(15)7-4-21-9(13-7)10-12-6-2-1-5(3-8(6)22-10)19-20(16,17)18;;;/h1-3,7H,4H2,(H,14,15)(H2,16,17,18);;;/q;3*+1/p-3/t7-;;;/m1.../s1

InChI Key:

QVWNEBIRLVIOBC-LSBIWMFESA-K

SMILES:

[O-]C(=O)[C@H]1CSC(=N1)c1nc2c(s1)cc(cc2)OP(=O)(O)O.[O-]C(=O)[C@H]1CSC(=N1)c1nc2c(s1)cc(cc2)OP(=O)(O)O.[O-]C(=O)[C@H]1CSC(=N1)c1nc2c(s1)cc(cc2)OP(=O)(O)O.[Na+].[Na+].[Na+]