3-[6-[4-(1-adamantylsulfanyl)phenyl]naphthalen-2-yl]pentane-2,4-dione

Systemtic Name: 3-[6-[4-(1-adamantylsulfanyl)phenyl]naphthalen-2-yl]pentane-2,4-dione Openeye Name: 3-[6-[4-(1-adamantylsulfanyl)phenyl]-2-naphthyl]pentane-2,4-dione CAS Name: 3-[6-[4-(1-adamantylthio)phenyl]-2-naphthalenyl]pentane-2,4-dione IUPAC Name: 3-[6-[4-(1-adamantylsulfanyl)phenyl]naphthalen-2-yl]pentane-2,4-dione Traditional Name: 3-[6-[4-(1-adamantylthio)phenyl]-2-naphthyl]pentane-2,4-dione Formula: C31H32O2S MolecularWeight: 468.64958

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=CC2=C(C=C1)C=C(C=C2)C3=CC=C(C=C3)SC45CC6CC(C4)CC(C6)C5)C(=O)C

Isomeric SMILES

CC(=O)C(C1=CC2=C(C=C1)C=C(C=C2)C3=CC=C(C=C3)SC45CC6CC(C4)CC(C6)C5)C(=O)C

InChI

InChI=1S/C31H32O2S/c1-19(32)30(20(2)33)28-6-5-26-14-25(3-4-27(26)15-28)24-7-9-29(10-8-24)34-31-16-21-11-22(17-31)13-23(12-21)18-31/h3-10,14-15,21-23,30H,11-13,16-18H2,1-2H3