butanedioate; (E)-octadec-9-enoate; phthalate

Systemtic Name: butanedioate; (E)-octadec-9-enoate; phthalate Openeye Name: butanedioate; (E)-octadec-9-enoate; phthalate CAS Name: butanedioate; (E)-9-octadecenoate; phthalate IUPAC Name: butanedioate; (E)-octadec-9-enoate; phthalate Traditional Name: (E)-octadec-9-enoate; phthalate; succinate Formula: C30H41O10-5 MolecularWeight: 561.64054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)[O-].C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-].C(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)[O-].C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-].C(CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C18H34O2.C8H6O4.C4H6O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;9-7(10)5-3-1-2-4-6(5)8(11)12;5-3(6)1-2-4(7)8/h9-10H,2-8,11-17H2,1H3,(H,19,20);1-4H,(H,9,10)(H,11,12);1-2H2,(H,5,6)(H,7,8)/p-5/b10-9+;;