2-azanylethanol; decanedioic acid; ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid

Systemtic Name: 2-azanylethanol; decanedioic acid; ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid Openeye Name: 2-aminoethanol; decanedioic acid; ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid CAS Name: 2-aminoethanol; decanedioic acid; ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid IUPAC Name: 2-aminoethanol; decanedioic acid; ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid Traditional Name: 2-aminoethanol; 2-aminoethylamine; (9Z,12Z)-octadeca-9,12-dienoic acid; sebacic acid Formula: C50H97N3O9 MolecularWeight: 884.31988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)O.CCCCCC=CCC=CCCCCCCCC(=O)O.C(CCCCC(=O)O)CCCC(=O)O.C(CN)N.C(CO)N

Isomeric SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.C(CCCC(=O)O)CCCCC(=O)O.C(N)CN.C(N)CO

InChI

InChI=1S/2C18H32O2.C10H18O4.C2H8N2.C2H7NO/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;11-9(12)7-5-3-1-2-4-6-8-10(13)14;2*3-1-2-4/h2*6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);1-8H2,(H,11,12)(H,13,14);1-4H2;4H,1-3H2/b2*7-6-,10-9-;;;