sodium 9,10-bis(oxidanylidene)-3,4-bis[4-(prop-2-enoylamino)butoxy]anthracene-2-sulfonate

Systemtic Name: sodium 9,10-bis(oxidanylidene)-3,4-bis[4-(prop-2-enoylamino)butoxy]anthracene-2-sulfonate Openeye Name: sodium 9,10-dioxo-3,4-bis[4-(prop-2-enoylamino)butoxy]anthracene-2-sulfonate CAS Name: sodium 9,10-dioxo-3,4-bis[4-(1-oxoprop-2-enylamino)butoxy]-2-anthracenesulfonate IUPAC Name: sodium 9,10-dioxo-3,4-bis[4-(prop-2-enoylamino)butoxy]anthracene-2-sulfonate Traditional Name: sodium 3,4-bis(4-acrylamidobutoxy)-9,10-diketo-anthracene-2-sulfonate Formula: C28H29N2NaO9S MolecularWeight: 592.59263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NCCCCOC1=C(C=C2C(=C1OCCCCNC(=O)C=C)C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C=CC(=O)NCCCCOC1=C(C=C2C(=C1OCCCCNC(=O)C=C)C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C28H30N2O9S.Na/c1-3-22(31)29-13-7-9-15-38-27-21(40(35,36)37)17-20-24(26(34)19-12-6-5-11-18(19)25(20)33)28(27)39-16-10-8-14-30-23(32)4-2;/h3-6,11-12,17H,1-2,7-10,13-16H2,(H,29,31)(H,30,32)(H,35,36,37);/q;+1/p-1