2-hexadecoxy-5-[[(Z)-(3-methyl-5-sulfo-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid

Systemtic Name: 2-hexadecoxy-5-[[(Z)-(3-methyl-5-sulfo-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid Openeye Name: 2-hexadecoxy-5-[[(Z)-(3-methyl-5-sulfo-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid CAS Name: 2-hexadecoxy-5-[[(Z)-(3-methyl-5-sulfo-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid IUPAC Name: 2-hexadecoxy-5-[[(Z)-(3-methyl-5-sulfo-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid Traditional Name: 2-cetyloxy-5-[[(Z)-(3-methyl-5-sulfo-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid Formula: C31H45N3O8S3 MolecularWeight: 683.8993

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)NN=C2N(C3=C(S2)C=CC(=C3)S(=O)(=O)O)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)N/N=C\2/N(C3=C(S2)C=CC(=C3)S(=O)(=O)O)C)C(=O)O

InChI

InChI=1S/C31H45N3O8S3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-42-28-19-17-24(22-26(28)30(35)36)44(37,38)33-32-31-34(2)27-23-25(45(39,40)41)18-20-29(27)43-31/h17-20,22-23,33H,3-16,21H2,1-2H3,(H,35,36)(H,39,40,41)/b32-31-