benzene-1,2,4-tricarboxylate; butanedioate; hexanedioate; phthalate; prop-1-ene

Systemtic Name: benzene-1,2,4-tricarboxylate; butanedioate; hexanedioate; phthalate; prop-1-ene Openeye Name: benzene-1,2,4-tricarboxylate; butanedioate; hexanedioate; phthalate; prop-1-ene CAS Name: benzene-1,2,4-tricarboxylate; butanedioate; hexanedioate; phthalate; 1-propene IUPAC Name: benzene-1,2,4-tricarboxylate; butanedioate; hexanedioate; phthalate; prop-1-ene Traditional Name: adipate; benzene-1,2,4-tricarboxylate; phthalate; prop-1-ene; succinate Formula: C30H25O18-9 MolecularWeight: 673.5087

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Descriptors Computed from Structure

Canonical SMILES:

CC=C.C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-].C1=CC(=C(C=C1C(=O)[O-])C(=O)[O-])C(=O)[O-].C(CCC(=O)[O-])CC(=O)[O-].C(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC=C.C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-].C1=CC(=C(C=C1C(=O)[O-])C(=O)[O-])C(=O)[O-].C(CCC(=O)[O-])CC(=O)[O-].C(CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C9H6O6.C8H6O4.C6H10O4.C4H6O4.C3H6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15;9-7(10)5-3-1-2-4-6(5)8(11)12;7-5(8)3-1-2-4-6(9)10;5-3(6)1-2-4(7)8;1-3-2/h1-3H,(H,10,11)(H,12,13)(H,14,15);1-4H,(H,9,10)(H,11,12);1-4H2,(H,7,8)(H,9,10);1-2H2,(H,5,6)(H,7,8);3H,1H2,2H3/p-9