5-(hydroxymethyl)-2,2-dimethyl-4-oxidanylidene-3-(3-oxidanylidenebutyl)-7-(5-phenylpentoxy)chromene-3-carbaldehyde

Systemtic Name: 5-(hydroxymethyl)-2,2-dimethyl-4-oxidanylidene-3-(3-oxidanylidenebutyl)-7-(5-phenylpentoxy)chromene-3-carbaldehyde Openeye Name: 5-(hydroxymethyl)-2,2-dimethyl-4-oxo-3-(3-oxobutyl)-7-(5-phenylpentoxy)chromane-3-carbaldehyde CAS Name: 5-(hydroxymethyl)-2,2-dimethyl-4-oxo-3-(3-oxobutyl)-7-(5-phenylpentoxy)-3,4-dihydro-2H-1-benzopyran-3-carboxaldehyde IUPAC Name: 5-(hydroxymethyl)-2,2-dimethyl-4-oxo-3-(3-oxobutyl)-7-(5-phenylpentoxy)chromene-3-carbaldehyde Traditional Name: 4-keto-3-(3-ketobutyl)-2,2-dimethyl-5-methylol-7-(5-phenylpentoxy)chroman-3-carbaldehyde Formula: C28H34O6 MolecularWeight: 466.56596

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1(C(=O)C2=C(C=C(C=C2CO)OCCCCCC3=CC=CC=C3)OC1(C)C)C=O

Isomeric SMILES

CC(=O)CCC1(C(=O)C2=C(C=C(C=C2CO)OCCCCCC3=CC=CC=C3)OC1(C)C)C=O

InChI

InChI=1S/C28H34O6/c1-20(31)13-14-28(19-30)26(32)25-22(18-29)16-23(17-24(25)34-27(28,2)3)33-15-9-5-8-12-21-10-6-4-7-11-21/h4,6-7,10-11,16-17,19,29H,5,8-9,12-15,18H2,1-3H3