4-azanyl-3-hexadecanoyloxy-naphthalene-1,2-disulfonic acid

Systemtic Name: 4-azanyl-3-hexadecanoyloxy-naphthalene-1,2-disulfonic acid Openeye Name: 4-amino-3-hexadecanoyloxy-naphthalene-1,2-disulfonic acid CAS Name: 4-amino-3-(1-oxohexadecoxy)naphthalene-1,2-disulfonic acid IUPAC Name: 4-amino-3-hexadecanoyloxynaphthalene-1,2-disulfonic acid Traditional Name: 4-amino-3-hexadecanoyloxy-naphthalene-1,2-disulfonic acid Formula: C26H39NO8S2 MolecularWeight: 557.71976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1=C(C2=CC=CC=C2C(=C1S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1=C(C2=CC=CC=C2C(=C1S(=O)(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C26H39NO8S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-22(28)35-24-23(27)20-17-15-16-18-21(20)25(36(29,30)31)26(24)37(32,33)34/h15-18H,2-14,19,27H2,1H3,(H,29,30,31)(H,32,33,34)