bis(3,6-ditert-butylazulen-1-yl)methanethione

Systemtic Name: bis(3,6-ditert-butylazulen-1-yl)methanethione Openeye Name: bis(3,6-ditert-butylazulen-1-yl)methanethione CAS Name: bis(3,6-ditert-butyl-1-azulenyl)methanethione IUPAC Name: bis(3,6-ditert-butylazulen-1-yl)methanethione Traditional Name: bis(3,6-ditert-butylazulen-1-yl)methanethione Formula: C37H46S MolecularWeight: 522.82614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C2C(=C(C=C2C(C)(C)C)C(=S)C3=C4C=CC(=CC=C4C(=C3)C(C)(C)C)C(C)(C)C)C=C1

Isomeric SMILES

CC(C)(C)C1=CC=C2C(=C(C=C2C(C)(C)C)C(=S)C3=C4C=CC(=CC=C4C(=C3)C(C)(C)C)C(C)(C)C)C=C1

InChI

InChI=1S/C37H46S/c1-34(2,3)23-13-17-25-27(19-15-23)31(36(7,8)9)21-29(25)33(38)30-22-32(37(10,11)12)28-20-16-24(35(4,5)6)14-18-26(28)30/h13-22H,1-12H3