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

Systemtic Name: 7-[1-(4-butylphenyl)-2,6-bis(oxidanyl)-6-oxidanylidene-hexyl]sulfanyl-4-propanoyl-4H-chromene-2-carboxylic acid Openeye Name: 7-[1-(4-butylphenyl)-2,6-dihydroxy-6-oxo-hexyl]sulfanyl-4-propanoyl-4H-chromene-2-carboxylic acid CAS Name: 7-[[1-(4-butylphenyl)-2,6-dihydroxy-6-oxohexyl]thio]-4-(1-oxopropyl)-4H-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[1-(4-butylphenyl)-2,6-dihydroxy-6-oxohexyl]sulfanyl-4-propanoyl-4H-chromene-2-carboxylic acid Traditional Name: 7-[[1-(4-butylphenyl)-2,6-dihydroxy-6-keto-hexyl]thio]-4-propionyl-4H-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=CC3=C(C=C2)C(C=C(O3)C(=O)O)C(=O)CC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(C(CCCC(=O)O)O)SC2=CC3=C(C=C2)C(C=C(O3)C(=O)O)C(=O)CC

InChI

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