3-(1-adamantyl)-4-methyl-2-(phenylcarbonyloxy)benzoic acid; sulfur dioxide

Systemtic Name: 3-(1-adamantyl)-4-methyl-2-(phenylcarbonyloxy)benzoic acid; sulfur dioxide Openeye Name: 3-(1-adamantyl)-2-benzoyloxy-4-methyl-benzoic acid; sulfur dioxide CAS Name: 3-(1-adamantyl)-2-benzoyloxy-4-methylbenzoic acid; sulfur dioxide IUPAC Name: 3-(1-adamantyl)-2-benzoyloxy-4-methylbenzoic acid; sulfur dioxide Traditional Name: 3-(1-adamantyl)-2-benzoyloxy-4-methyl-benzoic acid; sulfur dioxide Formula: C25H26O6S MolecularWeight: 454.53534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=O)O)OC(=O)C2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4.O=S=O

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=O)O)OC(=O)C2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4.O=S=O

InChI

InChI=1S/C25H26O4.O2S/c1-15-7-8-20(23(26)27)22(29-24(28)19-5-3-2-4-6-19)21(15)25-12-16-9-17(13-25)11-18(10-16)14-25;1-3-2/h2-8,16-18H,9-14H2,1H3,(H,26,27);