dimethyl 2-[6-[4-(1-adamantylsulfanyl)phenyl]naphthalen-2-yl]propanedioate

Systemtic Name: dimethyl 2-[6-[4-(1-adamantylsulfanyl)phenyl]naphthalen-2-yl]propanedioate Openeye Name: dimethyl 2-[6-[4-(1-adamantylsulfanyl)phenyl]-2-naphthyl]propanedioate CAS Name: 2-[6-[4-(1-adamantylthio)phenyl]-2-naphthalenyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[6-[4-(1-adamantylsulfanyl)phenyl]naphthalen-2-yl]propanedioate Traditional Name: 2-[6-[4-(1-adamantylthio)phenyl]-2-naphthyl]malonic acid dimethyl ester Formula: C31H32O4S MolecularWeight: 500.64838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H32O4S/c1-34-29(32)28(30(33)35-2)26-6-5-24-14-23(3-4-25(24)15-26)22-7-9-27(10-8-22)36-31-16-19-11-20(17-31)13-21(12-19)18-31/h3-10,14-15,19-21,28H,11-13,16-18H2,1-2H3