disodium 1-azanyl-4-[(4-dodecyl-2-sulfonato-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: disodium 1-azanyl-4-[(4-dodecyl-2-sulfonato-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: disodium 1-amino-4-(4-dodecyl-2-sulfonato-anilino)-9,10-dioxo-anthracene-2-sulfonate CAS Name: disodium 1-amino-4-(4-dodecyl-2-sulfonatoanilino)-9,10-dioxo-2-anthracenesulfonate IUPAC Name: disodium 1-amino-4-(4-dodecyl-2-sulfonatoanilino)-9,10-dioxoanthracene-2-sulfonate Traditional Name: disodium 1-amino-9,10-diketo-4-(4-lauryl-2-sulfonato-anilino)anthracene-2-sulfonate Formula: C32H36N2Na2O8S2 MolecularWeight: 686.74638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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