7-[1-(4-tert-butylphenyl)-2,6-bis(oxidanyl)-6-oxidanylidene-hexyl]sulfanyl-4-oxidanylidene-8-propyl-chromene-2-carboxylic acid

Systemtic Name: 7-[1-(4-tert-butylphenyl)-2,6-bis(oxidanyl)-6-oxidanylidene-hexyl]sulfanyl-4-oxidanylidene-8-propyl-chromene-2-carboxylic acid Openeye Name: 7-[1-(4-tert-butylphenyl)-2,6-dihydroxy-6-oxo-hexyl]sulfanyl-4-oxo-8-propyl-chromene-2-carboxylic acid CAS Name: 7-[[1-(4-tert-butylphenyl)-2,6-dihydroxy-6-oxohexyl]thio]-4-oxo-8-propyl-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[1-(4-tert-butylphenyl)-2,6-dihydroxy-6-oxohexyl]sulfanyl-4-oxo-8-propylchromene-2-carboxylic acid Traditional Name: 7-[[1-(4-tert-butylphenyl)-2,6-dihydroxy-6-keto-hexyl]thio]-4-keto-8-propyl-chromene-2-carboxylic acid Formula: C29H34O7S MolecularWeight: 526.64106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(=CC2=O)C(=O)O)SC(C3=CC=C(C=C3)C(C)(C)C)C(CCCC(=O)O)O

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(=CC2=O)C(=O)O)SC(C3=CC=C(C=C3)C(C)(C)C)C(CCCC(=O)O)O

InChI

InChI=1S/C29H34O7S/c1-5-7-20-24(15-14-19-22(31)16-23(28(34)35)36-26(19)20)37-27(21(30)8-6-9-25(32)33)17-10-12-18(13-11-17)29(2,3)4/h10-16,21,27,30H,5-9H2,1-4H3,(H,32,33)(H,34,35)