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

Systemtic Name: 7-[3-methoxy-2-oxidanyl-3-oxidanylidene-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanyl-4-oxidanylidene-8-propyl-chromene-2-carboxylic acid Openeye Name: 7-[2-hydroxy-3-methoxy-3-oxo-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanyl-4-oxo-8-propyl-chromene-2-carboxylic acid CAS Name: 7-[[2-hydroxy-3-methoxy-3-oxo-1-[2-(8-phenyloctyl)phenyl]propyl]thio]-4-oxo-8-propyl-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[2-hydroxy-3-methoxy-3-oxo-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanyl-4-oxo-8-propylchromene-2-carboxylic acid Traditional Name: 7-[[2-hydroxy-3-keto-3-methoxy-1-[2-(8-phenyloctyl)phenyl]propyl]thio]-4-keto-8-propyl-chromene-2-carboxylic acid Formula: C37H42O7S MolecularWeight: 630.79018

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(=CC2=O)C(=O)O)SC(C3=CC=CC=C3CCCCCCCCC4=CC=CC=C4)C(C(=O)OC)O

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(=CC2=O)C(=O)O)SC(C3=CC=CC=C3CCCCCCCCC4=CC=CC=C4)C(C(=O)OC)O

InChI

InChI=1S/C37H42O7S/c1-3-15-29-32(23-22-28-30(38)24-31(36(40)41)44-34(28)29)45-35(33(39)37(42)43-2)27-21-14-13-20-26(27)19-12-7-5-4-6-9-16-25-17-10-8-11-18-25/h8,10-11,13-14,17-18,20-24,33,35,39H,3-7,9,12,15-16,19H2,1-2H3,(H,40,41)