4-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]but-3-ynylphosphonic acid

Systemtic Name: 4-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]but-3-ynylphosphonic acid Openeye Name: 4-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]but-3-ynylphosphonic acid CAS Name: 4-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]but-3-ynylphosphonic acid IUPAC Name: 4-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]but-3-ynylphosphonic acid Traditional Name: 4-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]but-3-ynylphosphonic acid Formula: C18H25O3PS2 MolecularWeight: 384.493061

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CSC(SC1)C2=CC=C(C=C2)C#CCCP(=O)(O)O

Isomeric SMILES

CC(C)(C)C1CSC(SC1)C2=CC=C(C=C2)C#CCCP(=O)(O)O

InChI

InChI=1S/C18H25O3PS2/c1-18(2,3)16-12-23-17(24-13-16)15-9-7-14(8-10-15)6-4-5-11-22(19,20)21/h7-10,16-17H,5,11-13H2,1-3H3,(H2,19,20,21)