heptane; methanetetracarboxylic acid

Systemtic Name: heptane; methanetetracarboxylic acid Openeye Name: heptane; methanetetracarboxylic acid CAS Name: heptane; methanetetracarboxylic acid IUPAC Name: heptane; methanetetracarboxylic acid Traditional Name: methanetetracarboxylic acid; n-heptane Formula: C27H32O32 MolecularWeight: 868.52378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC.C(=O)(C(C(=O)O)(C(=O)O)C(=O)O)O.C(=O)(C(C(=O)O)(C(=O)O)C(=O)O)O.C(=O)(C(C(=O)O)(C(=O)O)C(=O)O)O.C(=O)(C(C(=O)O)(C(=O)O)C(=O)O)O

Isomeric SMILES

CCCCCCC.C(=O)(C(C(=O)O)(C(=O)O)C(=O)O)O.C(=O)(C(C(=O)O)(C(=O)O)C(=O)O)O.C(=O)(C(C(=O)O)(C(=O)O)C(=O)O)O.C(=O)(C(C(=O)O)(C(=O)O)C(=O)O)O

InChI

InChI=1S/C7H16.4C5H4O8/c1-3-5-7-6-4-2;4*6-1(7)5(2(8)9,3(10)11)4(12)13/h3-7H2,1-2H3;4*(H,6,7)(H,8,9)(H,10,11)(H,12,13)