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3-[4-(1-adamantyl)phenoxy]propane-1-sulfonic acid

3-[4-(1-adamantyl)phenoxy]propane-1-sulfonic acid

Systemtic Name:3-[4-(1-adamantyl)phenoxy]propane-1-sulfonic acid
Openeye Name:3-[4-(1-adamantyl)phenoxy]propane-1-sulfonic acid
CAS Name:3-[4-(1-adamantyl)phenoxy]-1-propanesulfonic acid
IUPAC Name:3-[4-(1-adamantyl)phenoxy]propane-1-sulfonic acid
Traditional Name:3-[4-(1-adamantyl)phenoxy]propane-1-sulfonic acid
Formula: C19H26O4S
MolecularWeight: 350.47234
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OCCCS(=O)(=O)O


Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OCCCS(=O)(=O)O


InChI

InChI=1S/C19H26O4S/c20-24(21,22)7-1-6-23-18-4-2-17(3-5-18)19-11-14-8-15(12-19)10-16(9-14)13-19/h2-5,14-16H,1,6-13H2,(H,20,21,22)


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