7-[(E)-8-methoxy-1-(4-octylphenyl)-4-oxidanyl-8-oxidanylidene-oct-1-en-3-yl]sulfanyl-4-oxidanylidene-8-propyl-chromene-2-carboxylic acid

Systemtic Name: 7-[(E)-8-methoxy-1-(4-octylphenyl)-4-oxidanyl-8-oxidanylidene-oct-1-en-3-yl]sulfanyl-4-oxidanylidene-8-propyl-chromene-2-carboxylic acid Openeye Name: 7-[2-hydroxy-6-methoxy-1-[(E)-2-(4-octylphenyl)vinyl]-6-oxo-hexyl]sulfanyl-4-oxo-8-propyl-chromene-2-carboxylic acid CAS Name: 7-[[(E)-4-hydroxy-8-methoxy-1-(4-octylphenyl)-8-oxooct-1-en-3-yl]thio]-4-oxo-8-propyl-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[(E)-4-hydroxy-8-methoxy-1-(4-octylphenyl)-8-oxooct-1-en-3-yl]sulfanyl-4-oxo-8-propylchromene-2-carboxylic acid Traditional Name: 7-[[(E)-1-(1-hydroxy-5-keto-5-methoxy-pentyl)-3-(4-octylphenyl)allyl]thio]-4-keto-8-propyl-chromene-2-carboxylic acid Formula: C36H46O7S MolecularWeight: 622.81124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C=CC(C(CCCC(=O)OC)O)SC2=C(C3=C(C=C2)C(=O)C=C(O3)C(=O)O)CCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)/C=C/C(C(CCCC(=O)OC)O)SC2=C(C3=C(C=C2)C(=O)C=C(O3)C(=O)O)CCC

InChI

InChI=1S/C36H46O7S/c1-4-6-7-8-9-10-13-25-16-18-26(19-17-25)20-22-33(29(37)14-11-15-34(39)42-3)44-32-23-21-27-30(38)24-31(36(40)41)43-35(27)28(32)12-5-2/h16-24,29,33,37H,4-15H2,1-3H3,(H,40,41)/b22-20+