cyclopentane; (3S)-2,5-dimethylhexa-1,5-diene-3-thiolate; oxoazane; rhenium; triphenylphosphane

Systemtic Name: cyclopentane; (3S)-2,5-dimethylhexa-1,5-diene-3-thiolate; oxoazane; rhenium; triphenylphosphane Openeye Name: cyclopentane; (3S)-2,5-dimethylhexa-1,5-diene-3-thiolate; nitroxyl; rhenium; triphenylphosphane CAS Name: cyclopentane; (3S)-2,5-dimethyl-3-hexa-1,5-dienethiolate; nitrosyl hydride; rhenium; triphenylphosphine IUPAC Name: cyclopentane; (3S)-2,5-dimethylhexa-1,5-diene-3-thiolate; nitroxyl; rhenium; triphenylphosphane Traditional Name: cyclopentane; (3S)-2,5-dimethylhexa-1,5-diene-3-thiolate; nitrosyl hydride; rhenium; triphenylphosphine Formula: C31H39NOPReS- MolecularWeight: 690.893221

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CC(C(=C)C)[S-].C1CCCC1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.N=O.[Re]

Isomeric SMILES

CC(=C)C[C@@H](C(=C)C)[S-].C1CCCC1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.N=O.[Re]

InChI

InChI=1S/C18H15P.C8H14S.C5H10.HNO.Re/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6(2)5-8(9)7(3)4;1-2-4-5-3-1;1-2;/h1-15H;8-9H,1,3,5H2,2,4H3;1-5H2;1H;/p-1/t;8-;;;/m.0.../s1