5-[7-(2-nonyl-1,3-dioxolan-2-yl)heptylsulfonyl]-1-phenyl-1,2,3,4-tetrazole

Systemtic Name: 5-[7-(2-nonyl-1,3-dioxolan-2-yl)heptylsulfonyl]-1-phenyl-1,2,3,4-tetrazole Openeye Name: 5-[7-(2-nonyl-1,3-dioxolan-2-yl)heptylsulfonyl]-1-phenyl-tetrazole CAS Name: 5-[7-(2-nonyl-1,3-dioxolan-2-yl)heptylsulfonyl]-1-phenyltetrazole IUPAC Name: 5-[7-(2-nonyl-1,3-dioxolan-2-yl)heptylsulfonyl]-1-phenyltetrazole Traditional Name: 5-[7-(2-nonyl-1,3-dioxolan-2-yl)heptylsulfonyl]-1-phenyl-tetrazole Formula: C26H42N4O4S MolecularWeight: 506.70108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1(OCCO1)CCCCCCCS(=O)(=O)C2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCC1(OCCO1)CCCCCCCS(=O)(=O)C2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C26H42N4O4S/c1-2-3-4-5-6-8-14-19-26(33-21-22-34-26)20-15-9-7-10-16-23-35(31,32)25-27-28-29-30(25)24-17-12-11-13-18-24/h11-13,17-18H,2-10,14-16,19-23H2,1H3