2-(2,3-dihydro-1,3-benzothiazol-2-yl)-4,6-bis(2-methylheptan-2-yl)phenol

Systemtic Name: 2-(2,3-dihydro-1,3-benzothiazol-2-yl)-4,6-bis(2-methylheptan-2-yl)phenol Openeye Name: 2-(2,3-dihydro-1,3-benzothiazol-2-yl)-4,6-bis(1,1-dimethylhexyl)phenol CAS Name: 2-(2,3-dihydro-1,3-benzothiazol-2-yl)-4,6-bis(2-methylheptan-2-yl)phenol IUPAC Name: 2-(2,3-dihydro-1,3-benzothiazol-2-yl)-4,6-bis(2-methylheptan-2-yl)phenol Traditional Name: 2-(2,3-dihydro-1,3-benzothiazol-2-yl)-4,6-bis(1,1-dimethylhexyl)phenol Formula: C29H43NOS MolecularWeight: 453.72282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC(=C(C(=C1)C2NC3=CC=CC=C3S2)O)C(C)(C)CCCCC

Isomeric SMILES

CCCCCC(C)(C)C1=CC(=C(C(=C1)C2NC3=CC=CC=C3S2)O)C(C)(C)CCCCC

InChI

InChI=1S/C29H43NOS/c1-7-9-13-17-28(3,4)21-19-22(27-30-24-15-11-12-16-25(24)32-27)26(31)23(20-21)29(5,6)18-14-10-8-2/h11-12,15-16,19-20,27,30-31H,7-10,13-14,17-18H2,1-6H3