heptadecanoic acid; methyl (E)-17-(3-nitrophenyl)heptadec-16-enoate

Systemtic Name: heptadecanoic acid; methyl (E)-17-(3-nitrophenyl)heptadec-16-enoate Openeye Name: heptadecanoic acid; methyl (E)-17-(3-nitrophenyl)heptadec-16-enoate CAS Name: heptadecanoic acid; (E)-17-(3-nitrophenyl)-16-heptadecenoic acid methyl ester IUPAC Name: heptadecanoic acid; methyl (E)-17-(3-nitrophenyl)heptadec-16-enoate Traditional Name: heptadecanoic acid; (E)-17-(3-nitrophenyl)heptadec-16-enoic acid methyl ester Formula: C41H71NO6 MolecularWeight: 674.00554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(=O)O.COC(=O)CCCCCCCCCCCCCCC=CC1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(=O)O.COC(=O)CCCCCCCCCCCCCC/C=C/C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C24H37NO4.C17H34O2/c1-29-24(26)20-15-13-11-9-7-5-3-2-4-6-8-10-12-14-17-22-18-16-19-23(21-22)25(27)28;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h14,16-19,21H,2-13,15,20H2,1H3;2-16H2,1H3,(H,18,19)/b17-14+;