3-[(2E)-2-diazanylidene-6-hexadecoxy-1,3-benzothiazol-3-yl]propane-1-sulfonic acid

Systemtic Name: 3-[(2E)-2-diazanylidene-6-hexadecoxy-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Openeye Name: 3-[(2E)-6-hexadecoxy-2-hydrazinylidene-1,3-benzothiazol-3-yl]propane-1-sulfonic acid CAS Name: 3-[(2E)-6-hexadecoxy-2-hydrazinylidene-1,3-benzothiazol-3-yl]-1-propanesulfonic acid IUPAC Name: 3-[(2E)-6-hexadecoxy-2-hydrazinylidene-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Traditional Name: 3-[(2E)-6-cetyloxy-2-hydrazono-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Formula: C26H45N3O4S2 MolecularWeight: 527.7832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC2=C(C=C1)N(C(=NN)S2)CCCS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC2=C(C=C1)N(/C(=N\N)/S2)CCCS(=O)(=O)O

InChI

InChI=1S/C26H45N3O4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-33-23-17-18-24-25(22-23)34-26(28-27)29(24)19-16-21-35(30,31)32/h17-18,22H,2-16,19-21,27H2,1H3,(H,30,31,32)/b28-26+