5-(1-azanyldodecan-2-yl)benzene-1,3-disulfonic acid

Systemtic Name: 5-(1-azanyldodecan-2-yl)benzene-1,3-disulfonic acid Openeye Name: 5-[1-(aminomethyl)undecyl]benzene-1,3-disulfonic acid CAS Name: 5-(1-aminododecan-2-yl)benzene-1,3-disulfonic acid IUPAC Name: 5-(1-aminododecan-2-yl)benzene-1,3-disulfonic acid Traditional Name: 5-[1-(aminomethyl)undecyl]benzene-1,3-disulfonic acid Formula: C18H31NO6S2 MolecularWeight: 421.57184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CN)C1=CC(=CC(=C1)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCC(CN)C1=CC(=CC(=C1)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H31NO6S2/c1-2-3-4-5-6-7-8-9-10-15(14-19)16-11-17(26(20,21)22)13-18(12-16)27(23,24)25/h11-13,15H,2-10,14,19H2,1H3,(H,20,21,22)(H,23,24,25)