2,2-bis(anthracen-9-ylmethyl)propanedioic acid

Systemtic Name: 2,2-bis(anthracen-9-ylmethyl)propanedioic acid Openeye Name: 2,2-bis(9-anthrylmethyl)propanedioic acid CAS Name: 2,2-bis(9-anthracenylmethyl)propanedioic acid IUPAC Name: 2,2-bis(anthracen-9-ylmethyl)propanedioic acid Traditional Name: 2,2-bis(9-anthrylmethyl)malonic acid Formula: C33H24O4 MolecularWeight: 484.54126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CC(CC4=C5C=CC=CC5=CC6=CC=CC=C64)(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CC(CC4=C5C=CC=CC5=CC6=CC=CC=C64)(C(=O)O)C(=O)O

InChI

InChI=1S/C33H24O4/c34-31(35)33(32(36)37,19-29-25-13-5-1-9-21(25)17-22-10-2-6-14-26(22)29)20-30-27-15-7-3-11-23(27)18-24-12-4-8-16-28(24)30/h1-18H,19-20H2,(H,34,35)(H,36,37)