1,3-bis(1,3-benzothiazol-2-yl)propyl 4-nitrobenzoate hydrochloride

Systemtic Name: 1,3-bis(1,3-benzothiazol-2-yl)propyl 4-nitrobenzoate hydrochloride Openeye Name: 1,3-bis(1,3-benzothiazol-2-yl)propyl 4-nitrobenzoate hydrochloride CAS Name: 4-nitrobenzoic acid 1,3-bis(1,3-benzothiazol-2-yl)propyl ester hydrochloride IUPAC Name: 1,3-bis(1,3-benzothiazol-2-yl)propyl 4-nitrobenzoate hydrochloride Traditional Name: 4-nitrobenzoic acid 1,3-bis(1,3-benzothiazol-2-yl)propyl ester hydrochloride Formula: C24H18ClN3O4S2 MolecularWeight: 512.00042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCC(C3=NC4=CC=CC=C4S3)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-].Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCC(C3=NC4=CC=CC=C4S3)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-].Cl

InChI

InChI=1S/C24H17N3O4S2.ClH/c28-24(15-9-11-16(12-10-15)27(29)30)31-19(23-26-18-6-2-4-8-21(18)33-23)13-14-22-25-17-5-1-3-7-20(17)32-22;/h1-12,19H,13-14H2;1H