7-[3-(2-ethyl-5-oxidanyl-4-phenyl-phenoxy)propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid

Systemtic Name: 7-[3-(2-ethyl-5-oxidanyl-4-phenyl-phenoxy)propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid Openeye Name: 7-[3-(2-ethyl-5-hydroxy-4-phenyl-phenoxy)propoxy]-8-propyl-chromane-2-carboxylic acid CAS Name: 7-[3-(2-ethyl-5-hydroxy-4-phenylphenoxy)propoxy]-8-propyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[3-(2-ethyl-5-hydroxy-4-phenylphenoxy)propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid Traditional Name: 7-[3-(2-ethyl-5-hydroxy-4-phenyl-phenoxy)propoxy]-8-propyl-chroman-2-carboxylic acid Formula: C30H34O6 MolecularWeight: 490.58736

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(CC2)C(=O)O)OCCCOC3=C(C=C(C(=C3)O)C4=CC=CC=C4)CC

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(CC2)C(=O)O)OCCCOC3=C(C=C(C(=C3)O)C4=CC=CC=C4)CC

InChI

InChI=1S/C30H34O6/c1-3-9-23-26(14-12-22-13-15-27(30(32)33)36-29(22)23)34-16-8-17-35-28-19-25(31)24(18-20(28)4-2)21-10-6-5-7-11-21/h5-7,10-12,14,18-19,27,31H,3-4,8-9,13,15-17H2,1-2H3,(H,32,33)