4-[3-(1-adamantyl)phenyl]carbonylsulfanylbenzoic acid

Systemtic Name: 4-[3-(1-adamantyl)phenyl]carbonylsulfanylbenzoic acid Openeye Name: 4-[3-(1-adamantyl)benzoyl]sulfanylbenzoic acid CAS Name: 4-[[[3-(1-adamantyl)phenyl]-oxomethyl]thio]benzoic acid IUPAC Name: 4-[3-(1-adamantyl)benzoyl]sulfanylbenzoic acid Traditional Name: 4-[[3-(1-adamantyl)benzoyl]thio]benzoic acid Formula: C24H24O3S MolecularWeight: 392.51056

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=CC(=C4)C(=O)SC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=CC(=C4)C(=O)SC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C24H24O3S/c25-22(26)18-4-6-21(7-5-18)28-23(27)19-2-1-3-20(11-19)24-12-15-8-16(13-24)10-17(9-15)14-24/h1-7,11,15-17H,8-10,12-14H2,(H,25,26)