bis(1-adamantyl)-(4-chloranyl-2-methyl-phenyl)methanol

Systemtic Name: bis(1-adamantyl)-(4-chloranyl-2-methyl-phenyl)methanol Openeye Name: bis(1-adamantyl)-(4-chloro-2-methyl-phenyl)methanol CAS Name: bis(1-adamantyl)-(4-chloro-2-methylphenyl)methanol IUPAC Name: bis(1-adamantyl)-(4-chloro-2-methylphenyl)methanol Traditional Name: bis(1-adamantyl)-(4-chloro-2-methyl-phenyl)methanol Formula: C28H37ClO MolecularWeight: 425.04578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)C(C23CC4CC(C2)CC(C4)C3)(C56CC7CC(C5)CC(C7)C6)O

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)C(C23CC4CC(C2)CC(C4)C3)(C56CC7CC(C5)CC(C7)C6)O

InChI

InChI=1S/C28H37ClO/c1-17-4-24(29)2-3-25(17)28(30,26-11-18-5-19(12-26)7-20(6-18)13-26)27-14-21-8-22(15-27)10-23(9-21)16-27/h2-4,18-23,30H,5-16H2,1H3