2-(5-chloranyl-2,3-dihydro-1,3-benzothiazol-2-yl)-4,6-bis(2-methylheptan-2-yl)phenol

Systemtic Name: 2-(5-chloranyl-2,3-dihydro-1,3-benzothiazol-2-yl)-4,6-bis(2-methylheptan-2-yl)phenol Openeye Name: 2-(5-chloro-2,3-dihydro-1,3-benzothiazol-2-yl)-4,6-bis(1,1-dimethylhexyl)phenol CAS Name: 2-(5-chloro-2,3-dihydro-1,3-benzothiazol-2-yl)-4,6-bis(2-methylheptan-2-yl)phenol IUPAC Name: 2-(5-chloro-2,3-dihydro-1,3-benzothiazol-2-yl)-4,6-bis(2-methylheptan-2-yl)phenol Traditional Name: 2-(5-chloro-2,3-dihydro-1,3-benzothiazol-2-yl)-4,6-bis(1,1-dimethylhexyl)phenol Formula: C29H42ClNOS MolecularWeight: 488.16788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC(=C(C(=C1)C2NC3=C(S2)C=CC(=C3)Cl)O)C(C)(C)CCCCC

Isomeric SMILES

CCCCCC(C)(C)C1=CC(=C(C(=C1)C2NC3=C(S2)C=CC(=C3)Cl)O)C(C)(C)CCCCC

InChI

InChI=1S/C29H42ClNOS/c1-7-9-11-15-28(3,4)20-17-22(27-31-24-19-21(30)13-14-25(24)33-27)26(32)23(18-20)29(5,6)16-12-10-8-2/h13-14,17-19,27,31-32H,7-12,15-16H2,1-6H3