7-[1-[3-(butylsulfanylmethyl)phenyl]-6-oxidanyl-6-oxidanylidene-hexyl]sulfanyl-4-oxidanylidene-8-propyl-chromene-2-carboxylic acid

Systemtic Name: 7-[1-[3-(butylsulfanylmethyl)phenyl]-6-oxidanyl-6-oxidanylidene-hexyl]sulfanyl-4-oxidanylidene-8-propyl-chromene-2-carboxylic acid Openeye Name: 7-[1-[3-(butylsulfanylmethyl)phenyl]-6-hydroxy-6-oxo-hexyl]sulfanyl-4-oxo-8-propyl-chromene-2-carboxylic acid CAS Name: 7-[[1-[3-[(butylthio)methyl]phenyl]-6-hydroxy-6-oxohexyl]thio]-4-oxo-8-propyl-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[1-[3-(butylsulfanylmethyl)phenyl]-6-hydroxy-6-oxohexyl]sulfanyl-4-oxo-8-propylchromene-2-carboxylic acid Traditional Name: 7-[[1-[3-[(butylthio)methyl]phenyl]-6-hydroxy-6-keto-hexyl]thio]-4-keto-8-propyl-chromene-2-carboxylic acid Formula: C30H36O6S2 MolecularWeight: 556.73324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC1=CC(=CC=C1)C(CCCCC(=O)O)SC2=C(C3=C(C=C2)C(=O)C=C(O3)C(=O)O)CCC

Isomeric SMILES

CCCCSCC1=CC(=CC=C1)C(CCCCC(=O)O)SC2=C(C3=C(C=C2)C(=O)C=C(O3)C(=O)O)CCC

InChI

InChI=1S/C30H36O6S2/c1-3-5-16-37-19-20-10-8-11-21(17-20)26(12-6-7-13-28(32)33)38-27-15-14-22-24(31)18-25(30(34)35)36-29(22)23(27)9-4-2/h8,10-11,14-15,17-18,26H,3-7,9,12-13,16,19H2,1-2H3,(H,32,33)(H,34,35)