3-[4-[1,2-bis(azanyl)ethyl]nonyl]-2-nonyl-naphthalene-1-sulfonate

Systemtic Name: 3-[4-[1,2-bis(azanyl)ethyl]nonyl]-2-nonyl-naphthalene-1-sulfonate Openeye Name: 3-[4-(1,2-diaminoethyl)nonyl]-2-nonyl-naphthalene-1-sulfonate CAS Name: 3-[4-(1,2-diaminoethyl)nonyl]-2-nonyl-1-naphthalenesulfonate IUPAC Name: 3-[4-(1,2-diaminoethyl)nonyl]-2-nonylnaphthalene-1-sulfonate Traditional Name: 3-[4-(1,2-diaminoethyl)nonyl]-2-nonyl-naphthalene-1-sulfonate Formula: C30H49N2O3S- MolecularWeight: 517.78666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C2=CC=CC=C2C=C1CCCC(CCCCC)C(CN)N)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCC1=C(C2=CC=CC=C2C=C1CCCC(CCCCC)C(CN)N)S(=O)(=O)[O-]

InChI

InChI=1S/C30H50N2O3S/c1-3-5-7-8-9-10-12-20-27-26(19-15-18-24(29(32)23-31)16-11-6-4-2)22-25-17-13-14-21-28(25)30(27)36(33,34)35/h13-14,17,21-22,24,29H,3-12,15-16,18-20,23,31-32H2,1-2H3,(H,33,34,35)/p-1