sodium 5-[[4-azanyl-9,10-bis(oxidanylidene)-3-sulfo-anthracen-1-yl]amino]-2-dodecyl-benzenesulfonate

Systemtic Name: sodium 5-[[4-azanyl-9,10-bis(oxidanylidene)-3-sulfo-anthracen-1-yl]amino]-2-dodecyl-benzenesulfonate Openeye Name: sodium 5-[(4-amino-9,10-dioxo-3-sulfo-1-anthryl)amino]-2-dodecyl-benzenesulfonate CAS Name: sodium 5-[(4-amino-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-2-dodecylbenzenesulfonate IUPAC Name: sodium 5-[(4-amino-9,10-dioxo-3-sulfoanthracen-1-yl)amino]-2-dodecylbenzenesulfonate Traditional Name: sodium 5-[(4-amino-9,10-diketo-3-sulfo-1-anthryl)amino]-2-lauryl-besylate Formula: C32H37N2NaO8S2 MolecularWeight: 664.76455

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCC1=C(C=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C32H38N2O8S2.Na/c1-2-3-4-5-6-7-8-9-10-11-14-21-17-18-22(19-26(21)43(37,38)39)34-25-20-27(44(40,41)42)30(33)29-28(25)31(35)23-15-12-13-16-24(23)32(29)36;/h12-13,15-20,34H,2-11,14,33H2,1H3,(H,37,38,39)(H,40,41,42);/q;+1/p-1