6-[4-(3-methoxy-2-tritio-phenyl)-3-methyl-1-adamantyl]-5-tritio-naphthalene-2-carboxylic acid

Systemtic Name: 6-[4-(3-methoxy-2-tritio-phenyl)-3-methyl-1-adamantyl]-5-tritio-naphthalene-2-carboxylic acid Openeye Name: 6-[4-(3-methoxy-2-tritio-phenyl)-3-methyl-1-adamantyl]-5-tritio-naphthalene-2-carboxylic acid CAS Name: 6-[4-(3-methoxy-2-tritiophenyl)-3-methyl-1-adamantyl]-5-tritio-2-naphthalenecarboxylic acid IUPAC Name: 6-[4-(3-methoxy-2-tritiophenyl)-3-methyl-1-adamantyl]-5-tritionaphthalene-2-carboxylic acid Traditional Name: 6-[4-(3-methoxy-2-tritio-phenyl)-3-methyl-1-adamantyl]-5-tritio-2-naphthoic acid Formula: C29H30O3 MolecularWeight: 430.562919

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1C4=CC(=CC=C4)OC)CC(C3)(C2)C5=CC6=C(C=C5)C=C(C=C6)C(=O)O

Isomeric SMILES

[3H]C1=C(C=CC=C1OC)C2C3CC4CC2(CC(C4)(C3)C5=C(C6=C(C=C5)C=C(C=C6)C(=O)O)[3H])C

InChI

InChI=1S/C29H30O3/c1-28-14-18-10-23(26(28)21-4-3-5-25(13-21)32-2)16-29(15-18,17-28)24-9-8-19-11-22(27(30)31)7-6-20(19)12-24/h3-9,11-13,18,23,26H,10,14-17H2,1-2H3,(H,30,31)/i12T,13T