cobalt(3+); [(E)-3-(2-nitrophenyl)sulfanyl-4-oxidanyl-pent-3-en-2-ylidene]oxidanium

Systemtic Name: cobalt(3+); [(E)-3-(2-nitrophenyl)sulfanyl-4-oxidanyl-pent-3-en-2-ylidene]oxidanium Openeye Name: cobaltic [(E)-3-hydroxy-1-methyl-2-(2-nitrophenyl)sulfanyl-but-2-enylidene]oxonium CAS Name: cobalt(3+); [(E)-4-hydroxy-3-[(2-nitrophenyl)thio]pent-3-en-2-ylidene]oxonium IUPAC Name: cobalt(3+); [(E)-4-hydroxy-3-(2-nitrophenyl)sulfanylpent-3-en-2-ylidene]oxidanium Traditional Name: cobaltic [(E)-3-hydroxy-1-methyl-2-[(2-nitrophenyl)thio]but-2-enylidene]oxonium Formula: C33H36CoN3O12S3+6 MolecularWeight: 821.78004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=[OH+])C)SC1=CC=CC=C1[N+](=O)[O-])O.CC(=C(C(=[OH+])C)SC1=CC=CC=C1[N+](=O)[O-])O.CC(=C(C(=[OH+])C)SC1=CC=CC=C1[N+](=O)[O-])O.[Co+3]

Isomeric SMILES

C/C(=C(\SC1=CC=CC=C1[N+](=O)[O-])/C(=[OH+])C)/O.C/C(=C(\SC1=CC=CC=C1[N+](=O)[O-])/C(=[OH+])C)/O.C/C(=C(\SC1=CC=CC=C1[N+](=O)[O-])/C(=[OH+])C)/O.[Co+3]

InChI

InChI=1S/3C11H11NO4S.Co/c3*1-7(13)11(8(2)14)17-10-6-4-3-5-9(10)12(15)16;/h3*3-6,13H,1-2H3;/q;;;+3/p+3/b3*11-7+;