2-azanyl-2-methyl-propane-1,3-diol; [2-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-6-yl] dihydrogen phosphate

Systemtic Name: 2-azanyl-2-methyl-propane-1,3-diol; [2-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-6-yl] dihydrogen phosphate Openeye Name: 2-amino-2-methyl-propane-1,3-diol; [2-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-6-yl] dihydrogen phosphate CAS Name: 2-amino-2-methylpropane-1,3-diol; [2-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-6-yl] dihydrogen phosphate IUPAC Name: 2-amino-2-methylpropane-1,3-diol; [2-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-6-yl] dihydrogen phosphate Traditional Name: 2-amino-2-methyl-propane-1,3-diol; [2-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-6-yl] dihydrogen phosphate Formula: C22H31N4O8PS2 MolecularWeight: 574.607301

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)N.CC(CO)(CO)N.C1=CC=C2C(=C1)N=C(S2)C3=NC4=C(S3)C=C(C=C4)OP(=O)(O)O

Isomeric SMILES

CC(CO)(CO)N.CC(CO)(CO)N.C1=CC=C2C(=C1)N=C(S2)C3=NC4=C(S3)C=C(C=C4)OP(=O)(O)O

InChI

InChI=1S/C14H9N2O4PS2.2C4H11NO2/c17-21(18,19)20-8-5-6-10-12(7-8)23-14(16-10)13-15-9-3-1-2-4-11(9)22-13;2*1-4(5,2-6)3-7/h1-7H,(H2,17,18,19);2*6-7H,2-3,5H2,1H3