5-[1,3-bis(oxidanylidene)-5-tridec-1-ynyl-inden-2-yl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[1,3-bis(oxidanylidene)-5-tridec-1-ynyl-inden-2-yl]benzene-1,3-dicarboxylic acid Openeye Name: 5-(1,3-dioxo-5-tridec-1-ynyl-indan-2-yl)benzene-1,3-dicarboxylic acid CAS Name: 5-(1,3-dioxo-5-tridec-1-ynyl-2-indenyl)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(1,3-dioxo-5-tridec-1-ynylinden-2-yl)benzene-1,3-dicarboxylic acid Traditional Name: 5-(1,3-diketo-5-tridec-1-ynyl-indan-2-yl)isophthalic acid Formula: C30H32O6 MolecularWeight: 488.57148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC#CC1=CC2=C(C=C1)C(=O)C(C2=O)C3=CC(=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC#CC1=CC2=C(C=C1)C(=O)C(C2=O)C3=CC(=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C30H32O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-14-15-24-25(16-20)28(32)26(27(24)31)21-17-22(29(33)34)19-23(18-21)30(35)36/h14-19,26H,2-11H2,1H3,(H,33,34)(H,35,36)