cobalt; cyclopentane; diethyl (2E,4E)-3-(phenylsulfonyl)hexa-2,4-dienedioate

Systemtic Name: cobalt; cyclopentane; diethyl (2E,4E)-3-(phenylsulfonyl)hexa-2,4-dienedioate Openeye Name: cobalt; cyclopentane; diethyl (2E,4E)-3-(benzenesulfonyl)hexa-2,4-dienedioate CAS Name: (2E,4E)-3-(benzenesulfonyl)hexa-2,4-dienedioic acid diethyl ester; cobalt; cyclopentane IUPAC Name: cobalt; cyclopentane; diethyl (2E,4E)-3-(benzenesulfonyl)hexa-2,4-dienedioate Traditional Name: (2E,4E)-3-besylmuconic acid diethyl ester; cobalt; cyclopentane Formula: C21H23CoO6S MolecularWeight: 462.40192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=CC(=O)OCC)S(=O)(=O)C1=CC=CC=C1.[CH]1[CH][CH][CH][CH]1.[Co]

Isomeric SMILES

CCOC(=O)/C=C/C(=C\C(=O)OCC)/S(=O)(=O)C1=CC=CC=C1.[CH]1[CH][CH][CH][CH]1.[Co]

InChI

InChI=1S/C16H18O6S.C5H5.Co/c1-3-21-15(17)11-10-14(12-16(18)22-4-2)23(19,20)13-8-6-5-7-9-13;1-2-4-5-3-1;/h5-12H,3-4H2,1-2H3;1-5H;/b11-10+,14-12+;;