bis(4-tert-butylphenyl)-pyridin-2-yl-methanethiolate; (1Z,5Z)-cycloocta-1,5-diene; rhodium

Systemtic Name: bis(4-tert-butylphenyl)-pyridin-2-yl-methanethiolate; (1Z,5Z)-cycloocta-1,5-diene; rhodium Openeye Name: bis(4-tert-butylphenyl)-(2-pyridyl)methanethiolate; (1Z,5Z)-cycloocta-1,5-diene; rhodium CAS Name: bis(4-tert-butylphenyl)-(2-pyridinyl)methanethiolate; (1Z,5Z)-cycloocta-1,5-diene; rhodium IUPAC Name: bis(4-tert-butylphenyl)-pyridin-2-ylmethanethiolate; (1Z,5Z)-cycloocta-1,5-diene; rhodium Traditional Name: bis(4-tert-butylphenyl)-(2-pyridyl)methanethiolate; (1Z,5Z)-cycloocta-1,5-diene; rhodium Formula: C34H42NRhS- MolecularWeight: 599.67448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)C(C)(C)C)(C3=CC=CC=N3)[S-].C1CC=CCCC=C1.[Rh]

Isomeric SMILES

CC(C1=CC=C(C=C1)C([S-])(C2=CC=CC=N2)C3=CC=C(C=C3)C(C)(C)C)(C)C.C1/C=C\CC/C=C\C1.[Rh]

InChI

InChI=1S/C26H31NS.C8H12.Rh/c1-24(2,3)19-10-14-21(15-11-19)26(28,23-9-7-8-18-27-23)22-16-12-20(13-17-22)25(4,5)6;1-2-4-6-8-7-5-3-1;/h7-18,28H,1-6H3;1-2,7-8H,3-6H2;/p-1/b;2-1-,8-7-;