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

Systemtic Name: 7-[(E)-4,8-bis(oxidanyl)-8-oxidanylidene-1-phenyl-oct-1-en-3-yl]sulfanyl-4-oxidanylidene-8-propyl-chromene-2-carboxylic acid Openeye Name: 7-[2,6-dihydroxy-6-oxo-1-[(E)-styryl]hexyl]sulfanyl-4-oxo-8-propyl-chromene-2-carboxylic acid CAS Name: 7-[[(E)-4,8-dihydroxy-8-oxo-1-phenyloct-1-en-3-yl]thio]-4-oxo-8-propyl-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[(E)-4,8-dihydroxy-8-oxo-1-phenyloct-1-en-3-yl]sulfanyl-4-oxo-8-propylchromene-2-carboxylic acid Traditional Name: 7-[[(E)-1-(1,5-dihydroxy-5-keto-pentyl)-3-phenyl-allyl]thio]-4-keto-8-propyl-chromene-2-carboxylic acid Formula: C27H28O7S MolecularWeight: 496.57202

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(=CC2=O)C(=O)O)SC(C=CC3=CC=CC=C3)C(CCCC(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C27H28O7S/c1-2-7-19-23(15-13-18-21(29)16-22(27(32)33)34-26(18)19)35-24(20(28)10-6-11-25(30)31)14-12-17-8-4-3-5-9-17/h3-5,8-9,12-16,20,24,28H,2,6-7,10-11H2,1H3,(H,30,31)(H,32,33)/b14-12+