4-methyl-1,2,3-benzothiadiazole-5-carboxylate; tricyclohexylstannanylium

Systemtic Name: 4-methyl-1,2,3-benzothiadiazole-5-carboxylate; tricyclohexylstannanylium Openeye Name: 4-methyl-1,2,3-benzothiadiazole-5-carboxylate; tricyclohexylstannanylium CAS Name: 4-methyl-1,2,3-benzothiadiazole-5-carboxylate; tricyclohexylstannanylium IUPAC Name: 4-methyl-1,2,3-benzothiadiazole-5-carboxylate; tricyclohexylstannanylium Traditional Name: 4-methyl-1,2,3-benzothiadiazole-5-carboxylate; tricyclohexylstannanylium Formula: C26H38N2O2SSn MolecularWeight: 561.36712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=NS2)C(=O)[O-].C1CCC(CC1)[Sn+](C2CCCCC2)C3CCCCC3

Isomeric SMILES

CC1=C(C=CC2=C1N=NS2)C(=O)[O-].C1CCC(CC1)[Sn+](C2CCCCC2)C3CCCCC3

InChI

InChI=1S/C8H6N2O2S.3C6H11.Sn/c1-4-5(8(11)12)2-3-6-7(4)9-10-13-6;3*1-2-4-6-5-3-1;/h2-3H,1H3,(H,11,12);3*1H,2-6H2;/q;;;;+1/p-1