6-tert-butyl-5-[[2-[2-(4-hydroxyphenyl)ethyl]-6-oxidanyl-4-oxidanylidene-2-propan-2-yl-3H-pyran-5-yl]sulfanyl]indole-1-carboxylic acid

Systemtic Name: 6-tert-butyl-5-[[2-[2-(4-hydroxyphenyl)ethyl]-6-oxidanyl-4-oxidanylidene-2-propan-2-yl-3H-pyran-5-yl]sulfanyl]indole-1-carboxylic acid Openeye Name: 6-tert-butyl-5-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-isopropyl-4-oxo-3H-pyran-5-yl]sulfanyl]indole-1-carboxylic acid CAS Name: 6-tert-butyl-5-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-4-oxo-2-propan-2-yl-3H-pyran-5-yl]thio]-1-indolecarboxylic acid IUPAC Name: 6-tert-butyl-5-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-4-oxo-2-propan-2-yl-3H-pyran-5-yl]sulfanyl]indole-1-carboxylic acid Traditional Name: 6-tert-butyl-5-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-isopropyl-4-keto-3H-pyran-5-yl]thio]indole-1-carboxylic acid Formula: C29H33NO6S MolecularWeight: 523.64042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CC(=O)C(=C(O1)O)SC2=C(C=C3C(=C2)C=CN3C(=O)O)C(C)(C)C)CCC4=CC=C(C=C4)O

Isomeric SMILES

CC(C)C1(CC(=O)C(=C(O1)O)SC2=C(C=C3C(=C2)C=CN3C(=O)O)C(C)(C)C)CCC4=CC=C(C=C4)O

InChI

InChI=1S/C29H33NO6S/c1-17(2)29(12-10-18-6-8-20(31)9-7-18)16-23(32)25(26(33)36-29)37-24-14-19-11-13-30(27(34)35)22(19)15-21(24)28(3,4)5/h6-9,11,13-15,17,31,33H,10,12,16H2,1-5H3,(H,34,35)