(E)-(3-tert-butylphenyl)-[4-(3-tert-butylphenyl)carbonyl-6-sulfanylidene-cyclohexa-2,4-dien-1-ylidene]methanolate

Systemtic Name: (E)-(3-tert-butylphenyl)-[4-(3-tert-butylphenyl)carbonyl-6-sulfanylidene-cyclohexa-2,4-dien-1-ylidene]methanolate Openeye Name: (E)-[4-(3-tert-butylbenzoyl)-6-thioxo-cyclohexa-2,4-dien-1-ylidene]-(3-tert-butylphenyl)methanolate CAS Name: (E)-(3-tert-butylphenyl)-[4-[(3-tert-butylphenyl)-oxomethyl]-6-sulfanylidene-1-cyclohexa-2,4-dienylidene]methanolate IUPAC Name: (E)-[4-(3-tert-butylbenzoyl)-6-sulfanylidenecyclohexa-2,4-dien-1-ylidene]-(3-tert-butylphenyl)methanolate Traditional Name: (E)-[4-(3-tert-butylbenzoyl)-6-thioxo-cyclohexa-2,4-dien-1-ylidene]-(3-tert-butylphenyl)methanolate Formula: C28H29O2S- MolecularWeight: 429.59366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC(=C1)C(=O)C2=CC(=S)C(=C(C3=CC(=CC=C3)C(C)(C)C)[O-])C=C2

Isomeric SMILES

CC(C)(C)C1=CC=CC(=C1)C(=O)C2=CC(=S)/C(=C(\C3=CC(=CC=C3)C(C)(C)C)/[O-])/C=C2

InChI

InChI=1S/C28H30O2S/c1-27(2,3)21-11-7-9-18(15-21)25(29)20-13-14-23(24(31)17-20)26(30)19-10-8-12-22(16-19)28(4,5)6/h7-17,30H,1-6H3/p-1/b26-23+