3-[1-(1-adamantyl)-3-methyl-1-oxidanylidene-butan-2-yl]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[1-(1-adamantyl)-3-methyl-1-oxidanylidene-butan-2-yl]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[1-(adamantane-1-carbonyl)-2-methyl-propyl]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[1-(1-adamantyl)-3-methyl-1-oxobutan-2-yl]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[1-(1-adamantyl)-3-methyl-1-oxobutan-2-yl]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[1-(adamantane-1-carbonyl)-2-methyl-propyl]-5-phenyl-2-thenoic acid Formula: C26H30O3S MolecularWeight: 422.5796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)C(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H30O3S/c1-15(2)22(24(27)26-12-16-8-17(13-26)10-18(9-16)14-26)20-11-21(30-23(20)25(28)29)19-6-4-3-5-7-19/h3-7,11,15-18,22H,8-10,12-14H2,1-2H3,(H,28,29)