bismuth; 5-(2-ethoxy-2-oxidanylidene-ethyl)-4,7-bis(oxidanylidene)-1,3,2-dioxathiepan-5-olate; 2-methylguanidine

Systemtic Name: bismuth; 5-(2-ethoxy-2-oxidanylidene-ethyl)-4,7-bis(oxidanylidene)-1,3,2-dioxathiepan-5-olate; 2-methylguanidine Openeye Name: bismuth; 5-(2-ethoxy-2-oxo-ethyl)-4,7-dioxo-1,3,2-dioxathiepan-5-olate; 2-methylguanidine CAS Name: bismuth; 5-(2-ethoxy-2-oxoethyl)-4,7-dioxo-1,3,2-dioxathiepan-5-olate; 2-methylguanidine IUPAC Name: bismuth; 5-(2-ethoxy-2-oxoethyl)-4,7-dioxo-1,3,2-dioxathiepan-5-olate; 2-methylguanidine Traditional Name: bismuth; 5-(2-ethoxy-2-keto-ethyl)-4,7-diketo-1,3,2-dioxathiepan-5-olate; 2-methylguanidine Formula: C30H48BiN9O21S3 MolecularWeight: 1175.9252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1(CC(=O)OSOC1=O)[O-].CCOC(=O)CC1(CC(=O)OSOC1=O)[O-].CCOC(=O)CC1(CC(=O)OSOC1=O)[O-].CN=C(N)N.CN=C(N)N.CN=C(N)N.[Bi+3]

Isomeric SMILES

CCOC(=O)CC1(CC(=O)OSOC1=O)[O-].CCOC(=O)CC1(CC(=O)OSOC1=O)[O-].CCOC(=O)CC1(CC(=O)OSOC1=O)[O-].CN=C(N)N.CN=C(N)N.CN=C(N)N.[Bi+3]

InChI

InChI=1S/3C8H9O7S.3C2H7N3.Bi/c3*1-2-13-5(9)3-8(12)4-6(10)14-16-15-7(8)11;3*1-5-2(3)4;/h3*2-4H2,1H3;3*1H3,(H4,3,4,5);/q3*-1;;;;+3