2-hexadecoxy-5-[C-methyl-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]carbonimidoyl]benzenesulfonic acid

Systemtic Name: 2-hexadecoxy-5-[C-methyl-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]carbonimidoyl]benzenesulfonic acid Openeye Name: 2-hexadecoxy-5-[C-methyl-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]carbonimidoyl]benzenesulfonic acid CAS Name: 2-hexadecoxy-5-[1-[(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]ethyl]benzenesulfonic acid IUPAC Name: 2-hexadecoxy-5-[C-methyl-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]carbonimidoyl]benzenesulfonic acid Traditional Name: 2-cetyloxy-5-[C-methyl-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]carbonimidoyl]besylic acid Formula: C32H47N3O4S2 MolecularWeight: 601.86328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=NN=C2N(C3=CC=CC=C3S2)C)C)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=NN=C2N(C3=CC=CC=C3S2)C)C)S(=O)(=O)O

InChI

InChI=1S/C32H47N3O4S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-39-29-23-22-27(25-31(29)41(36,37)38)26(2)33-34-32-35(3)28-20-17-18-21-30(28)40-32/h17-18,20-23,25H,4-16,19,24H2,1-3H3,(H,36,37,38)