O1-(anthracen-9-ylmethyl) O5-(hydroxymethyl) O3-methyl 1-methylheptane-1,3,5-tricarboxylate

Systemtic Name: O1-(anthracen-9-ylmethyl) O5-(hydroxymethyl) O3-methyl 1-methylheptane-1,3,5-tricarboxylate Openeye Name: O1-(9-anthrylmethyl) O5-(hydroxymethyl) O3-methyl 1-methylheptane-1,3,5-tricarboxylate CAS Name: 1-methylheptane-1,3,5-tricarboxylic acid O1-(9-anthracenylmethyl) ester O5-(hydroxymethyl) ester O3-methyl ester IUPAC Name: 1-O-(anthracen-9-ylmethyl) 5-O-(hydroxymethyl) 3-O-methyl 1-methylheptane-1,3,5-tricarboxylate Traditional Name: 1-methylheptane-1,3,5-tricarboxylic acid O1-(9-anthrylmethyl) ester O3-methyl ester O5-methylol ester Formula: C28H32O7 MolecularWeight: 480.54948

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC(C)C(=O)OCC1=C2C=CC=CC2=CC3=CC=CC=C31)C(=O)OC)C(=O)OCO

Isomeric SMILES

CCC(CC(CC(C)C(=O)OCC1=C2C=CC=CC2=CC3=CC=CC=C31)C(=O)OC)C(=O)OCO

InChI

InChI=1S/C28H32O7/c1-4-19(28(32)35-17-29)14-22(27(31)33-3)13-18(2)26(30)34-16-25-23-11-7-5-9-20(23)15-21-10-6-8-12-24(21)25/h5-12,15,18-19,22,29H,4,13-14,16-17H2,1-3H3