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

Systemtic Name: 7-[(E)-8-methoxy-4-oxidanyl-8-oxidanylidene-1-phenyl-oct-1-en-3-yl]sulfanyl-4-oxidanylidene-8-propyl-chromene-2-carboxylic acid Openeye Name: 7-[2-hydroxy-6-methoxy-6-oxo-1-[(E)-styryl]hexyl]sulfanyl-4-oxo-8-propyl-chromene-2-carboxylic acid CAS Name: 7-[[(E)-4-hydroxy-8-methoxy-8-oxo-1-phenyloct-1-en-3-yl]thio]-4-oxo-8-propyl-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[(E)-4-hydroxy-8-methoxy-8-oxo-1-phenyloct-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-phenyl-allyl]thio]-4-keto-8-propyl-chromene-2-carboxylic acid Formula: C28H30O7S MolecularWeight: 510.5986

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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)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C28H30O7S/c1-3-8-20-24(16-14-19-22(30)17-23(28(32)33)35-27(19)20)36-25(15-13-18-9-5-4-6-10-18)21(29)11-7-12-26(31)34-2/h4-6,9-10,13-17,21,25,29H,3,7-8,11-12H2,1-2H3,(H,32,33)/b15-13+