2-hexyl-10-[3-(4-hydroxyphenyl)-7-oxidanyl-3,4-dihydro-2H-thiochromen-4-yl]decanoic acid

Systemtic Name: 2-hexyl-10-[3-(4-hydroxyphenyl)-7-oxidanyl-3,4-dihydro-2H-thiochromen-4-yl]decanoic acid Openeye Name: 2-hexyl-10-[7-hydroxy-3-(4-hydroxyphenyl)thiochroman-4-yl]decanoic acid CAS Name: 2-hexyl-10-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzothiopyran-4-yl]decanoic acid IUPAC Name: 2-hexyl-10-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-thiochromen-4-yl]decanoic acid Traditional Name: 2-hexyl-10-[7-hydroxy-3-(4-hydroxyphenyl)thiochroman-4-yl]capric acid Formula: C31H44O4S MolecularWeight: 512.74366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCCCC1C(CSC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O)C(=O)O

Isomeric SMILES

CCCCCCC(CCCCCCCCC1C(CSC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O)C(=O)O

InChI

InChI=1S/C31H44O4S/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/h15-21,24,27,29,32-33H,2-14,22H2,1H3,(H,34,35)