(Z)-octadec-9-enoate; [(Z)-octadec-9-enoyl] 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: (Z)-octadec-9-enoate; [(Z)-octadec-9-enoyl] 3,4,5-tris(oxidanyl)benzoate Openeye Name: (Z)-octadec-9-enoate; [(Z)-octadec-9-enoyl] 3,4,5-trihydroxybenzoate CAS Name: (Z)-9-octadecenoate; 3,4,5-trihydroxybenzoic acid [(Z)-1-oxooctadec-9-enyl] ester IUPAC Name: (Z)-octadec-9-enoate; [(Z)-octadec-9-enoyl] 3,4,5-trihydroxybenzoate Traditional Name: (Z)-octadec-9-enoate; 3,4,5-trihydroxybenzoic acid [(Z)-octadec-9-enoyl] ester Formula: C68H109O14- MolecularWeight: 1150.58466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C25H38O6.C18H34O2/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(28)31-25(30)20-18-21(26)24(29)22(27)19-20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2*9-10,18-19,26-27,29H,2-8,11-17H2,1H3;9-10H,2-8,11-17H2,1H3,(H,19,20)/p-1/b3*10-9-