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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(C(CCCC(=O)O)O)SC2=C(C3=C(C=C2)C(=O)C=C(O3)C(=O)O)CCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(C(CCCC(=O)O)O)SC2=C(C3=C(C=C2)C(=O)C=C(O3)C(=O)O)CCC

InChI

InChI=1S/C29H34O7S/c1-3-5-8-18-11-13-19(14-12-18)28(22(30)9-6-10-26(32)33)37-25-16-15-20-23(31)17-24(29(34)35)36-27(20)21(25)7-4-2/h11-17,22,28,30H,3-10H2,1-2H3,(H,32,33)(H,34,35)