4-[5-(4-ethanoyl-3-methoxy-2-propyl-phenoxy)pentyl]-3-oxidanylidene-8-propyl-4H-chromene-2-carboxylic acid

Systemtic Name: 4-[5-(4-ethanoyl-3-methoxy-2-propyl-phenoxy)pentyl]-3-oxidanylidene-8-propyl-4H-chromene-2-carboxylic acid Openeye Name: 4-[5-(4-acetyl-3-methoxy-2-propyl-phenoxy)pentyl]-3-oxo-8-propyl-chromane-2-carboxylic acid CAS Name: 4-[5-(4-acetyl-3-methoxy-2-propylphenoxy)pentyl]-3-oxo-8-propyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: 4-[5-(4-acetyl-3-methoxy-2-propylphenoxy)pentyl]-3-oxo-8-propyl-4H-chromene-2-carboxylic acid Traditional Name: 4-[5-(4-acetyl-3-methoxy-2-propyl-phenoxy)pentyl]-3-keto-8-propyl-chroman-2-carboxylic acid Formula: C30H38O7 MolecularWeight: 510.61852

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC2=C1OC(C(=O)C2CCCCCOC3=C(C(=C(C=C3)C(=O)C)OC)CCC)C(=O)O

Isomeric SMILES

CCCC1=CC=CC2=C1OC(C(=O)C2CCCCCOC3=C(C(=C(C=C3)C(=O)C)OC)CCC)C(=O)O

InChI

InChI=1S/C30H38O7/c1-5-11-20-13-10-15-23-22(26(32)29(30(33)34)37-27(20)23)14-8-7-9-18-36-25-17-16-21(19(3)31)28(35-4)24(25)12-6-2/h10,13,15-17,22,29H,5-9,11-12,14,18H2,1-4H3,(H,33,34)