2-hexyl-10-[3-(4-hydroxyphenyl)-7-oxidanyl-2,4-dihydrothiochromen-3-id-4-yl]decanoic acid; praseodymium(3+)

Systemtic Name: 2-hexyl-10-[3-(4-hydroxyphenyl)-7-oxidanyl-2,4-dihydrothiochromen-3-id-4-yl]decanoic acid; praseodymium(3+) Openeye Name: 2-hexyl-10-[7-hydroxy-3-(4-hydroxyphenyl)thiochroman-3-id-4-yl]decanoic acid; praseodymium(3+) CAS Name: 2-hexyl-10-[7-hydroxy-3-(4-hydroxyphenyl)-2,4-dihydro-1-benzothiopyran-3-id-4-yl]decanoic acid; praseodymium(3+) IUPAC Name: 2-hexyl-10-[7-hydroxy-3-(4-hydroxyphenyl)-2,4-dihydrothiochromen-3-id-4-yl]decanoic acid; praseodymium(3+) Traditional Name: 2-hexyl-10-[7-hydroxy-3-(4-hydroxyphenyl)thiochroman-3-id-4-yl]capric acid; praseodymium(3+) Formula: C31H43O4PrS+2 MolecularWeight: 652.64337

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCCCC1[C-](CSC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O)C(=O)O.[Pr+3]

Isomeric SMILES

CCCCCCC(CCCCCCCCC1[C-](CSC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O)C(=O)O.[Pr+3]

InChI

InChI=1S/C31H43O4S.Pr/c1-2-3-4-9-12-24(31(34)35)13-10-7-5-6-8-11-14-27-28-20-19-26(33)21-30(28)36-22-29(27)23-15-17-25(32)18-16-23;/h15-21,24,27,32-33H,2-14,22H2,1H3,(H,34,35);/q-1;+3